| SpectraBase Spectrum ID |
8JSsITCvEGG |
| Name |
Benzylisocyanate |
| 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/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey |
YDNLNVZZTACNJX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
133.150 g/mol |
| Nominal Mass |
133 u |
| Quality |
976 |
| Retention Index |
1041 |
| SMILES |
C1(=CC=CC=C1)CN=C=O |
| SPLASH |
splash10-0fal-9700000000-9d822eb7c2629f38b4a3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(isocyanatomethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026612 |
