| SpectraBase Spectrum ID |
JGGD6udfxOS |
| Name |
1,2-Diphenylethyl isothiocyanate |
| CAS Registry Number |
71056-06-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
239.076870597 u |
| Formula |
C15H13NS |
| InChI |
InChI=1S/C15H13NS/c17-12-16-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11H2 |
| InChIKey |
SFNJUHMQHYRSJI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
239.336 g/mol |
| Nominal Mass |
239 u |
| Quality |
955 |
| Retention Index |
2511 |
| SMILES |
C(C=1C=CC=CC1)(CC1=CC=CC=C1)N=C=S |
| SPLASH |
splash10-014i-0900000000-30896ada43f8556b44eb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1-Isothiocyanato-2-phenyl-ethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011086 |
