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Diltiazem-M (desacetyl)
SpectraBase Compound ID B20PMojIwH7
InChI InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3
InChIKey NZHUXMZTSSZXSB-UHFFFAOYSA-N
Mol Weight 372.48 g/mol
Molecular Formula C20H24N2O3S
Exact Mass 372.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFdMyN0US1Y
Name Diltiazem-M (desacetyl)
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 372.150763812 u
Formula C20H24N2O3S
InChI InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3
InChIKey NZHUXMZTSSZXSB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 372.483 g/mol
Nominal Mass 372 u
Quality 928
Retention Index 2949
SMILES OC1C(C2=CC=C(C=C2)OC)SC=2C(N(C1=O)CCN(C)C)=CC=CC2
SPLASH splash10-0a4i-9100000000-8c4cacbbd51ec0ec225d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-(2-(dimethylamino)ethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-\r4(5H)-one
Technique GC/MS
Wiley ID DD2024_000965