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syn-(2R,3S)-3-Hydroxy-2-methyl-3-(1-phenylsulfanylcyclopentyl)propyl-N-tosylamide

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syn-(2R,3S)-3-Hydroxy-2-methyl-3-(1-phenylsulfanylcyclopentyl)propyl-N-tosylamide
SpectraBase Compound ID AP151gECqmh
InChI InChI=1S/C22H29NO3S2/c1-17-10-12-20(13-11-17)28(25,26)23-16-18(2)21(24)22(14-6-7-15-22)27-19-8-4-3-5-9-19/h3-5,8-13,18,21,23-24H,6-7,14-16H2,1-2H3/t18-,21+/m1/s1
InChIKey MLKZPOZDUBOXCI-NQIIRXRSSA-N
Mol Weight 419.6 g/mol
Molecular Formula C22H29NO3S2
Exact Mass 419.158886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2N4qXU0TK6
Name syn-(2R,3S)-3-Hydroxy-2-methyl-3-(1-phenylsulfanylcyclopentyl)propyl-N-tosylamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.158886143 u
Formula C22H29NO3S2
InChI InChI=1S/C22H29NO3S2/c1-17-10-12-20(13-11-17)28(25,26)23-16-18(2)21(24)22(14-6-7-15-22)27-19-8-4-3-5-9-19/h3-5,8-13,18,21,23-24H,6-7,14-16H2,1-2H3/t18-,21+/m1/s1
InChIKey MLKZPOZDUBOXCI-NQIIRXRSSA-N
Molecular Weight 419.598 g/mol
SMILES C(NS(C=1C=CC(=CC1)C)(=O)=O)[C@]([C@@](C1(SC2=CC=CC=C2)CCCC1)(O)[H])(C)[H]