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Diltiazem
SpectraBase Compound ID HWbeh2V0mfP
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/t20-,21+/m1/s1
InChIKey HSUGRBWQSSZJOP-RTWAWAEBSA-N
Mol Weight 414.52 g/mol
Molecular Formula C22H26N2O4S
Exact Mass 414.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fu3r4VtP8jP
Name Diltiazem
CAS Registry Number 42399-41-7
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C22H26N2O4S
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/t20-,21+/m1/s1
InChIKey HSUGRBWQSSZJOP-RTWAWAEBSA-N
SMILES c12N(C([C@@]([C@@](Sc1cccc2)(c1ccc(cc1)OC)[H])(OC(=O)C)[H])=O)CCN(C)C
SPLASH splash10-0a4i-9100000000-6a901fbc033993b4c393
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences