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(2S,3S)-3-hydroxy-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one

View entire compound with spectra: 1 MS (GC)

(2S,3S)-3-hydroxy-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
SpectraBase Compound ID HfXRxShBXch
InChI InChI=1S/C18H19NO4S/c1-23-13-8-6-12(7-9-13)17-16(21)18(22)19(10-11-20)14-4-2-3-5-15(14)24-17/h2-9,16-17,20-21H,10-11H2,1H3/t16-,17+/m1/s1
InChIKey KGGGMORTSFTLQR-SJORKVTESA-N
Mol Weight 345.41 g/mol
Molecular Formula C18H19NO4S
Exact Mass 345.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl2Eos1F1An
Name (2S,3S)-3-hydroxy-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
Alternate Name(s) (2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4S
InChI InChI=1S/C18H19NO4S/c1-23-13-8-6-12(7-9-13)17-16(21)18(22)19(10-11-20)14-4-2-3-5-15(14)24-17/h2-9,16-17,20-21H,10-11H2,1H3/t16-,17+/m1/s1
InChIKey KGGGMORTSFTLQR-SJORKVTESA-N
Molecular Weight 345.413 g/mol
SMILES OCCN1c2c(S[C@]([C@](C1=O)(O)[H])(c1ccc(cc1)OC)[H])cccc2
SPLASH splash10-00di-0900000000-896da8d4cb9b2d72fb5d
Source of Spectrum E1-39-1199-2
Wiley ID 1598733