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Omeprazole sulfide
SpectraBase Compound ID FoVxJa6pVL0
InChI InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChIKey XURCIPRUUASYLR-UHFFFAOYSA-N
Mol Weight 329.42 g/mol
Molecular Formula C17H19N3O2S
Exact Mass 329.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nwef6fwxO4
Name Omeprazole-M
CAS Registry Number 73590-85-9
Classification Pharmaceutical drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 329.119798036 u
Formula C17H19N3O2S
InChI InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChIKey XURCIPRUUASYLR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 329.418 g/mol
Nominal Mass 329 u
Quality 962
Retention Index 2654
SMILES C=12C(N=C(N2)SCC=2C(=C(C(=CN2)C)OC)C)=CC(=CC1)OC
SPLASH splash10-0032-6982000000-0ae6bd7d391d67b21ad4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Omeprazole metabolite Omeprazole sulfide 5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfanyl)-1H-benzimidazole
Technique GC/MS
Wiley ID DD2024_030138