| SpectraBase Compound ID | DnMxXmukoFN |
|---|---|
| InChI | InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3 |
| InChIKey | CPPGZWWUPFWALU-UHFFFAOYSA-N |
| Mol Weight | 133.15 g/mol |
| Molecular Formula | C8H7NO |
| Exact Mass | 133.052764 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 41fuLNf2ci7 |
|---|---|
| Name | 3-Tolyl isocyanate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NO |
| InChI | InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3 |
| InChIKey | CPPGZWWUPFWALU-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 133.150 g/mol |
| SMILES | c1(N=C=O)cccc(c1)C |
| SPLASH | splash10-001i-6900000000-2549131af492e0328596 |
| Source of Spectrum | SRH-2022-4276-0 |
| Wiley ID | 1826436 |