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Clomipramine
SpectraBase Compound ID 63PsHmAvZVO
InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKey GDLIGKIOYRNHDA-UHFFFAOYSA-N
Mol Weight 314.86 g/mol
Molecular Formula C19H23ClN2
Exact Mass 314.154976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8K9etwwlKbI
Name Clomipramine
CAS Registry Number 303-49-1
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 314.154976449 u
Formula C19H23ClN2
InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKey GDLIGKIOYRNHDA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 314.860 g/mol
Nominal Mass 314 u
Quality 919
Retention Index 2406
SMILES C1=2N(C=3C(CCC2C=CC(=C1)Cl)=CC=CC3)CCCN(C)C
SPLASH splash10-0ap0-9270000000-a46dd47831dfe6dbdcf2
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-(3-Chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-N,N-dimethylpropylamine
Technique GC/MS
Wiley ID DD2024_006275