| SpectraBase Spectrum ID |
JEilxDTbPkm |
| Name |
alpha-Phenethylamine-isothiocyanate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
163.045570468 u |
| Formula |
C9H9NS |
| InChI |
InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3 |
| InChIKey |
QQCJPTVZIZVKEZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
163.238 g/mol |
| Nominal Mass |
163 u |
| Quality |
833 |
| Retention Index |
1212 |
| SMILES |
C=1(C(N=C=S)C)C=CC=CC1 |
| SPLASH |
splash10-0a4i-2900000000-98d2b1875a0b443d6828 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1-isothiocyanatoethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013853 |
