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(3aS,6S,7R,7aS)-7-Benzyloxy-3,6-dimethyl-2-phenyl-5-(phenylsulfonyl)octahydro[1,3]thiazolo[4,5-c]pyridine
SpectraBase Compound ID 8tOeGsNEQUW
InChI InChI=1S/C27H30N2O3S2/c1-20-25(32-19-21-12-6-3-7-13-21)26-24(28(2)27(33-26)22-14-8-4-9-15-22)18-29(20)34(30,31)23-16-10-5-11-17-23/h3-17,20,24-27H,18-19H2,1-2H3/t20-,24-,25+,26-,27?/m0/s1
InChIKey IIXPUIZZYBFDKW-GRIOWLAZSA-N
Mol Weight 494.67 g/mol
Molecular Formula C27H30N2O3S2
Exact Mass 494.169785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InQTfmVyNsW
Name (3aS,6S,7R,7aS)-7-Benzyloxy-3,6-dimethyl-2-phenyl-5-(phenylsulfonyl)octahydro[1,3]thiazolo[4,5-c]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O3S2
InChI InChI=1S/C27H30N2O3S2/c1-20-25(32-19-21-12-6-3-7-13-21)26-24(28(2)27(33-26)22-14-8-4-9-15-22)18-29(20)34(30,31)23-16-10-5-11-17-23/h3-17,20,24-27H,18-19H2,1-2H3/t20-,24-,25+,26-,27?/m0/s1
InChIKey IIXPUIZZYBFDKW-GRIOWLAZSA-N
Molecular Weight 494.668 g/mol
SMILES C1[C@]2([C@@]([C@@]([C@@](N1S(=O)(=O)c1ccccc1)(C)[H])(OCc1ccccc1)[H])(SC(N2C)c1ccccc1)[H])[H]
SPLASH splash10-0007-9300000000-e4540d55820e6ad929f2
Source of Spectrum J-67-3192-24
Synonyms (3aS,6S,7R,7aS)-3,6-dimethyl-2-phenyl-5-(phenylsulfonyl)octahydro[1,3]thiazolo[4,5-c]pyridin-7-yl benzyl ether
Wiley ID 1569746