| SpectraBase Spectrum ID |
JHXCYx6d5yS |
| Name |
Isothipendyl |
| CAS Registry Number |
482-15-5 |
| Classification |
Pharmaceutical drug, antihistaminic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
285.129968798 u |
| Formula |
C16H19N3S |
| InChI |
InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3 |
| InChIKey |
OQJBSDFFQWMKBQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
285.409 g/mol |
| Nominal Mass |
285 u |
| Quality |
995 |
| Retention Index |
2286 |
| SMILES |
C=12N(C3=C(SC2=CC=CC1)C=CC=N3)CC(N(C)C)C |
| SPLASH |
splash10-00di-9100000000-9df013a831bfbaa4483b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N,N-Dimethyl-1-(pyrido[3,2-b][1,4]-benzothiazin-10-ylmethyl)ethylamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005710 |
