| SpectraBase Spectrum ID |
DoE10OGF4nA |
| Name |
Benzene,1-isocyanato-2-methyl- |
| CAS Registry Number |
614-68-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
133.052763848 u |
| Formula |
C8H7NO |
| InChI |
InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3 |
| InChIKey |
VAYMIYBJLRRIFR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
133.150 g/mol |
| Nominal Mass |
133 u |
| Quality |
970 |
| Retention Index |
1034 |
| SMILES |
C=1(C(=CC=CC1)C)N=C=O |
| SPLASH |
splash10-0f89-5900000000-85e74ba75e468037ad07 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032549 |
