![[m,m'-bitolyl]-4,4'-diol, diisocyanate](/api/spectrum/ANHqtQtV4r3/structure.png?h=300&w=458 "[m,m'-bitolyl]-4,4'-diol, diisocyanate")
| SpectraBase Compound ID | 5moSdFhaRdE |
|---|---|
| InChI | InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3 |
| InChIKey | ICLCCFKUSALICQ-UHFFFAOYSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C16H12N2O2 |
| Exact Mass | 264.089878 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ANHqtQtV4r3 |
|---|---|
| Name | 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl |
| CAS Registry Number | 91-97-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H12N2O2 |
| InChI | InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3 |
| InChIKey | ICLCCFKUSALICQ-UHFFFAOYSA-N |
| Molecular Weight | 264.284 g/mol |
| SMILES | c1(ccc(c(c1)C)N=C=O)-c1cc(c(cc1)N=C=O)C |
| SPLASH | splash10-03di-1290000000-4d212db683ae03a57603 |
| Source of Spectrum | NP-7-9554-0 |
| Synonyms | 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl- 3,3'-Bitolylene-4,4'-diisocyanate 3,3'-Dimethyl-4,4'-biphenylene diisocyanate 3,3'-Dimethyl-4,4'-biphenylene isocyanate 3,3'-Dimethyl-4,4'-biphenylylene diisocyanate 3,3'-Dimethyl-4,4'-diphenylene diisocyanate 3,3'-Dimethylbiphenyl 4,4'-diisocyanate 4,4'-Diisocyanato-3,3'-bitolyl 4,4'-Diisocyanato-3,3'-dimethylbiphenyl Bitolylene diisocyanate Isocyanic acid, 3,3'-dimethyl-4,4'-biphenylene ester Isocyanic acid, 3,3'-dimethyl-4,4'-biphenylylene ester Nacconate 200 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene |
| Wiley ID | 1106961 |