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Desmethylclomipramine
SpectraBase Compound ID DMkBoQPj0ev
InChI InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3
InChIKey VPIXQGUBUKFLRF-UHFFFAOYSA-N
Mol Weight 300.83 g/mol
Molecular Formula C18H21ClN2
Exact Mass 300.139326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EePTCYxOczf
Name Clomipramine-M (-CH3)
Classification Pharmaceutical drug, sympathomimetic, antidepressant
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 300.139326384 u
Formula C18H21ClN2
InChI InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3
InChIKey VPIXQGUBUKFLRF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 300.833 g/mol
Nominal Mass 300 u
Quality 915
Retention Index 2406
SMILES C1=2N(C=3C(CCC2C=CC(=C1)Cl)=CC=CC3)CCCNC
SPLASH splash10-01di-1390000000-0a49132e2951f5eb30f8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Desmethylclomipramine 3-(3-Chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-N-methylpropylamine
Technique GC/MS
Wiley ID DD2024_007223