| SpectraBase Spectrum ID |
JJe3Y4uMew4 |
| Name |
4-Phenylbutan-2-amine-isothiocyanate |
| Classification |
Drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
191.076870597 u |
| Formula |
C11H13NS |
| InChI |
InChI=1S/C11H13NS/c1-10(12-9-13)7-8-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3 |
| InChIKey |
DZVAJQOWQXBKHL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
191.292 g/mol |
| Nominal Mass |
191 u |
| Quality |
998 |
| Retention Index |
1413 |
| SMILES |
C1(CCC(N=C=S)C)=CC=CC=C1 |
| SPLASH |
splash10-0006-9400000000-4b1b0cbf2acf5e106950 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3-isothiocyanatobutyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014089 |
