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(M,2S,3S)-Diltiazem cation
SpectraBase Compound ID JqfTAc4zNGk
InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1
InChIKey HSUGRBWQSSZJOP-UHFFFAOYSA-O
Mol Weight 415.53 g/mol
Molecular Formula C22H27N2O4S
Exact Mass 415.169154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7FXBNQCtnS
Name (M,2S,3S)-Diltiazem cation
Comments HYDROCHLORIDE, SIGNALS GIVEN FOR (P,S,S) SPECIES
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H27N2O4S
InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1
InChIKey HSUGRBWQSSZJOP-UHFFFAOYSA-O
Instrument Name Bruker WP-200
Literature Reference R. Glaser, B. Sklarz, J. Chem. Soc. Perkin II 1031 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6