Flow object JSON
{
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"prefLabel": [
{
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"@language": "en",
"@lang": "en",
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}
}
],
"altLabel": [
{
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],
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}
},
{
"@value": "2-Methyl-2-phenylpropane",
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],
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}
},
{
"@value": "Benzene, (1,1-dimethylethyl)-",
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],
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}
},
{
"@value": "Benzene, tert-butyl-",
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],
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}
},
{
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenyltrimethylmethane",
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],
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}
},
{
"@value": "t-Butylbenzene",
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],
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}
},
{
"@value": "Trimethylphenylmethane",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@value": [
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{
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},
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{
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},
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{
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{
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},
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{
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"attested_by": {
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},
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},
"attested_by": {
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},
"https://w3id.org/chemrof/molecular_mass": {
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"rdfs:label": "Molecular mass",
"@value": [
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{
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{
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],
"attested_by": {
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},
"https://w3id.org/chemrof/monoisotopic_mass": {
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{
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},
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{
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{
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{
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{
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{
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