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Cholestan-3β-ol, p-(tetrahydro-2H-1,2-thiazin-2-yl)benzoate, S,S-dioxide

View entire compound with spectra: 1 NMR, and 1 FTIR

Cholestan-3β-ol, p-(tetrahydro-2H-1,2-thiazin-2-yl)benzoate, S,S-dioxide
SpectraBase Compound ID IngGUP0YZlf
InChI InChI=1S/C38H59NO4S/c1-26(2)9-8-10-27(3)33-17-18-34-32-16-13-29-25-31(19-21-37(29,4)35(32)20-22-38(33,34)5)43-36(40)28-11-14-30(15-12-28)39-23-6-7-24-44(39,41)42/h11-12,14-15,26-27,29,31-35H,6-10,13,16-25H2,1-5H3/t27-,29-,31+,32+,33-,34+,35+,37+,38-/m1/s1
InChIKey SGSQNSWKZDTUCC-UPQWPXRPSA-N
Mol Weight 626.0 g/mol
Molecular Formula C38H59NO4S
Exact Mass 625.416481 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7zp6X72xj0z
Name Cholestan-3β-ol, p-(tetrahydro-2H-1,2-thiazin-2-yl)benzoate, S,S-dioxide
Source of Sample S. H. Doss, National Research Center, Cairo, Egypt
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H59NO4S
InChI InChI=1S/C38H59NO4S/c1-26(2)9-8-10-27(3)33-17-18-34-32-16-13-29-25-31(19-21-37(29,4)35(32)20-22-38(33,34)5)43-36(40)28-11-14-30(15-12-28)39-23-6-7-24-44(39,41)42/h11-12,14-15,26-27,29,31-35H,6-10,13,16-25H2,1-5H3/t27-,29-,31+,32+,33-,34+,35+,37+,38-/m1/s1
InChIKey SGSQNSWKZDTUCC-UPQWPXRPSA-N
Molecular Weight 625.953003
Synonyms CHOLESTAN-3B-OL, P-/TETRAHYDRO- 2H-1,2-THIAZIN-2-YL/BENZOATE, S,S-DI- OXIDE
Technique KBr WAFER