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N-[3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N-methylacetamide
SpectraBase Compound ID 4xh3RHCUM1l
InChI InChI=1S/C20H23ClN2O/c1-15(24)22(2)12-5-13-23-19-7-4-3-6-16(19)8-9-17-10-11-18(21)14-20(17)23/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKey MKZYWCOSALTCPB-UHFFFAOYSA-N
Mol Weight 342.87 g/mol
Molecular Formula C20H23ClN2O
Exact Mass 342.149891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHsMN4ho753
Name Clomipramine-M (Nor) AC
Classification Pharmaceutical drug metabolite
Comments Spectrum verified by crosschecking against external libraries (one 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 342.149891068 u
Formula C20H23ClN2O
InChI InChI=1S/C20H23ClN2O/c1-15(24)22(2)12-5-13-23-19-7-4-3-6-16(19)8-9-17-10-11-18(21)14-20(17)23/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKey MKZYWCOSALTCPB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 342.870 g/mol
Nominal Mass 342 u
Quality 930
Retention Index 2646
SMILES C1=2N(C=3C(CCC2C=CC(=C1)Cl)=CC=CC3)CCCN(C(=O)C)C
SPLASH splash10-002f-1491000000-6107192ab42637992599
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)-N-methylacetamide
Technique GC/MS
Wiley ID DD2024_006278