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(1S,2R)-3-Benzylamino-2-methyl-1-[1-(phenylthio)cyclohexyl]propan-1-ol

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(1S,2R)-3-Benzylamino-2-methyl-1-[1-(phenylthio)cyclohexyl]propan-1-ol
SpectraBase Compound ID ZoDdhO5wr8
InChI InChI=1S/C23H31NOS/c1-19(17-24-18-20-11-5-2-6-12-20)22(25)23(15-9-4-10-16-23)26-21-13-7-3-8-14-21/h2-3,5-8,11-14,19,22,24-25H,4,9-10,15-18H2,1H3/t19-,22+/m1/s1
InChIKey DROGUTUEBKYNDE-KNQAVFIVSA-N
Mol Weight 369.57 g/mol
Molecular Formula C23H31NOS
Exact Mass 369.212636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 426fK9qM3Kl
Name (1S,2R)-3-Benzylamino-2-methyl-1-[1-(phenylthio)cyclohexyl]propan-1-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.212635795 u
Formula C23H31NOS
InChI InChI=1S/C23H31NOS/c1-19(17-24-18-20-11-5-2-6-12-20)22(25)23(15-9-4-10-16-23)26-21-13-7-3-8-14-21/h2-3,5-8,11-14,19,22,24-25H,4,9-10,15-18H2,1H3/t19-,22+/m1/s1
InChIKey DROGUTUEBKYNDE-KNQAVFIVSA-N
Molecular Weight 369.567 g/mol
SMILES C1(SC=2C=CC=CC2)([C@]([C@@](CNCC2=CC=CC=C2)(C)[H])(O)[H])CCCCC1