| SpectraBase Spectrum ID |
8H0UtJDPOwi |
| Name |
Phenethyl isocyanate |
| CAS Registry Number |
1943-82-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
147.068413913 u |
| Formula |
C9H9NO |
| InChI |
InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
| InChIKey |
HACRKYQRZABURO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
147.177 g/mol |
| Nominal Mass |
147 u |
| Quality |
873 |
| Retention Index |
1141 |
| SMILES |
C1(=CC=CC=C1)CCN=C=O |
| SPLASH |
splash10-0006-9100000000-6e5d982f27c2d5860537 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2-isocyanatoethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025412 |
