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Rivaroxaban
SpectraBase Compound ID F6IB7KQnQe2
InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)
InChIKey KGFYHTZWPPHNLQ-UHFFFAOYSA-N
Mol Weight 435.88 g/mol
Molecular Formula C19H18ClN3O5S
Exact Mass 435.06557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pLsM60fyZU
Name Rivaroxaban
Classification Pharmaceutical drug, anticoagulant
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 435.065569561 u
Formula C19H18ClN3O5S
InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)
InChIKey KGFYHTZWPPHNLQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 435.882 g/mol
Nominal Mass 435 u
Quality 999
Retention Index 3342
SMILES C=1(N2C(OC(C2)CNC(C=2SC(=CC2)Cl)=O)=O)C=CC(N2C(COCC2)=O)=CC1
SPLASH splash10-0a4r-2930000000-97573a76c33d4087ac52
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-Chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-\r2-carboxamide
Technique GC/MS
Wiley ID DD2024_025942