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Carvedilol
SpectraBase Compound ID CnEVImq9eVB
InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
InChIKey OGHNVEJMJSYVRP-UHFFFAOYSA-N
Mol Weight 406.48 g/mol
Molecular Formula C24H26N2O4
Exact Mass 406.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkbPMuILuZI
Name Carvedilol
CAS Registry Number 72956-09-3
Classification Beta-Blocker
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 406.189257321 u
Formula C24H26N2O4
InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
InChIKey OGHNVEJMJSYVRP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 406.482 g/mol
SMILES c12cccc(c2c2ccccc2[nH]1)OCC(CNCCOc1c(cccc1)OC)O
SPLASH splash10-001i-1920000000-c9d1eede0a4012594f8a
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_7887