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Verapamil-M (O-demethyl-) AC
SpectraBase Compound ID 3nXP5ElV4BP
InChI InChI=1S/C28H38N2O5/c1-20(2)28(19-29,23-10-12-25(35-21(3)31)27(18-23)34-7)14-8-15-30(4)16-13-22-9-11-24(32-5)26(17-22)33-6/h9-12,17-18,20H,8,13-16H2,1-7H3
InChIKey VJEBBAAEUPBTRT-UHFFFAOYSA-N
Mol Weight 482.6 g/mol
Molecular Formula C28H38N2O5
Exact Mass 482.278072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ggh0WwGxrT
Name Verapamil-M (O-demethyl-) AC
Classification Ca Antagonist
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Exact Mass 482.278072327 u
Formula C28H38N2O5
InChI InChI=1S/C28H38N2O5/c1-20(2)28(19-29,23-10-12-25(35-21(3)31)27(18-23)34-7)14-8-15-30(4)16-13-22-9-11-24(32-5)26(17-22)33-6/h9-12,17-18,20H,8,13-16H2,1-7H3
InChIKey VJEBBAAEUPBTRT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 482.621 g/mol
SMILES CC(Oc1c(cc(C(C#N)(C(C)C)CCCN(CCc2cc(OC)c(OC)cc2)C)cc1)OC)=O
SPLASH splash10-001i-4419000000-73da756793479c66981f
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.
Sample Preparation Procedure Detected: U+UHYAC
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_1921