| SpectraBase Spectrum ID |
JFw66yyWbB2 |
| Name |
Phenethylamine-isothiocyanate |
| Classification |
Drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
163.045570468 u |
| Formula |
C9H9NS |
| InChI |
InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
| InChIKey |
IZJDOKYDEWTZSO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
163.238 g/mol |
| Nominal Mass |
163 u |
| Quality |
923 |
| Retention Index |
1212 |
| SMILES |
C1(=CC=CC=C1)CCN=C=S |
| SPLASH |
splash10-0006-9400000000-d0e15e3571629712d56e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
beta-Phenethylamine-isothiocyanate
(2-isothiocyanatoethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013852 |
