SpectraBase Spectrum ID |
JJ8HS8PDthI |
Name |
Moclobemide |
CAS Registry Number |
71320-77-9 |
Classification |
Pharmaceutical drug, sympathomimetic, antidepressant |
Comments |
Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
268.097855493 u |
Formula |
C13H17ClN2O2 |
InChI |
InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17) |
InChIKey |
YHXISWVBGDMDLQ-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
268.744 g/mol |
Nominal Mass |
268 u |
Quality |
900 |
Retention Index |
2092 |
SMILES |
C(C1=CC=C(C=C1)Cl)(NCCN1CCOCC1)=O |
SPLASH |
splash10-0udi-3900000000-ed496df551b068cb8838 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Benzamide,4-chloro-N-(2-morpholin-4-ylethyl)
4-Chloro-N-(2-morpholin-4-ylethyl)benzamide |
Technique |
GC/MS |
Wiley ID |
DD2024_002470 |