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(2S,3R)-N-Benzyl-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propanamide
SpectraBase Compound ID 1QOkDp7fjb
InChI InChI=1S/C23H29NO2S/c1-18(22(26)24-17-19-11-5-2-6-12-19)21(25)23(15-9-4-10-16-23)27-20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21,25H,4,9-10,15-17H2,1H3,(H,24,26)/t18-,21+/m0/s1
InChIKey QGBSLVDYJUHEDC-GHTZIAJQSA-N
Mol Weight 383.55 g/mol
Molecular Formula C23H29NO2S
Exact Mass 383.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4fYD5W8yv6
Name (2S,3R)-N-Benzyl-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propanamide
Alternate Name(s) (2S,3R)-N-benzyl-3-hydroxy-2-methyl-3-[1-(phenylsulfanyl)cyclohexyl]propanamide anti-(2RS,3SR)-N-Benzyl-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]popanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO2S
InChI InChI=1S/C23H29NO2S/c1-18(22(26)24-17-19-11-5-2-6-12-19)21(25)23(15-9-4-10-16-23)27-20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21,25H,4,9-10,15-17H2,1H3,(H,24,26)/t18-,21+/m0/s1
InChIKey QGBSLVDYJUHEDC-GHTZIAJQSA-N
Molecular Weight 383.550 g/mol
SMILES N(C([C@]([C@](C1(Sc2ccccc2)CCCCC1)(O)[H])(C)[H])=O)Cc1ccccc1
SPLASH splash10-0006-9700000000-c91a4518809c83b71595
Source of Spectrum KC-1993-1645-10
Wiley ID 778357