SpectraBase Spectrum ID |
8IqE1VtDnqy |
Name |
Phentermine NCS |
Classification |
Pharmaceutical drug derivative |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
191.076870597 u |
Formula |
C11H13NS |
InChI |
InChI=1S/C11H13NS/c1-11(2,12-9-13)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3 |
InChIKey |
GGVWEPALVAYPRK-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
191.292 g/mol |
Nominal Mass |
191 u |
Quality |
948 |
Retention Index |
1413 |
SMILES |
C(CC1=CC=CC=C1)(N=C=S)(C)C |
SPLASH |
splash10-0udl-4900000000-7b40681c41f945c800ed |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(2-isothiocyanato-2-methylpropyl)benzene |
Technique |
GC/MS |
Wiley ID |
DD2024_014467 |