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Verapamil-M (O-demethyl-) AC

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zIedY1I0r6
Name Verapamil-m (o-demethyl-) ac P1637
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 482.621 g/mol
SMILES CC(OC1=C(C=C(C(C#N)(C(C)C)CCCN(CCC2=CC(OC)=C(OC)C=C2)C)C=C1)OC)=O