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Moclobemide
SpectraBase Compound ID I3K879zgRdN
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
Mol Weight 268.74 g/mol
Molecular Formula C13H17ClN2O2
Exact Mass 268.097855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FmLWuSv1to
Name Moclobemide
CAS Registry Number 71320-77-9
Classification Pharmaceutical drug, sympathomimetic, antidepressant
Comments Spectrum verified by crosschecking against external libraries (three 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 996
Retention Index 2092
SMILES C(C1=CC=C(C=C1)Cl)(NCCN1CCOCC1)=O
SPLASH splash10-0udi-2900000000-a3a831cef300fc7ac040
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_002468