![1-[Isocyanato(phenyl)methyl]-4-methylbenzene](/api/spectrum/GThKTzTtJTO/structure.png?h=300&w=458 "1-[Isocyanato(phenyl)methyl]-4-methylbenzene")
| SpectraBase Compound ID | 3cL2pELMObZ |
|---|---|
| InChI | InChI=1S/C15H13NO/c1-12-7-9-14(10-8-12)15(16-11-17)13-5-3-2-4-6-13/h2-10,15H,1H3 |
| InChIKey | VSIMPIWSSKHLJK-UHFFFAOYSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C15H13NO |
| Exact Mass | 223.099714 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GThKTzTtJTO |
|---|---|
| Name | 1-[isocyanato(phenyl)methyl]-4-methylbenzene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H13NO |
| InChI | InChI=1S/C15H13NO/c1-12-7-9-14(10-8-12)15(16-11-17)13-5-3-2-4-6-13/h2-10,15H,1H3 |
| InChIKey | VSIMPIWSSKHLJK-UHFFFAOYSA-N |
| Molecular Weight | 223.275 g/mol |
| SMILES | C(c1ccc(cc1)C)(c1ccccc1)N=C=O |
| SPLASH | splash10-05uu-2970000000-bb9b789d4c900bda0087 |
| Source of Spectrum | F-51-7895-53 |
| Wiley ID | 792679 |