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Diltiazem

View entire compound with spectra: 1 FTIR, and 6 MS (GC)

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 JoMUHto3LZ
Name Diltiazem
Alternate Name(s) Cardizem (2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 414.520 g/mol
SMILES C1(=O)[C@](OC(C)=O)([C@](c2ccc(cc2)OC)(Sc2ccccc2N1CCN(C)C)[H])[H]
SPLASH splash10-0a4i-9100000000-37435a34f518a238d4c4
Source of Spectrum SWG-33-1677-0
Wiley ID 1809315