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trans-Ethyl 3-((1SR,SR)-4-phenyl-1-(phenylthio)cyclohexyl)propanoate
SpectraBase Compound ID 7NsBrZrmJVW
InChI InChI=1S/C23H28O2S/c1-2-25-22(24)15-18-23(26-21-11-7-4-8-12-21)16-13-20(14-17-23)19-9-5-3-6-10-19/h3-12,20H,2,13-18H2,1H3/t20-,23-
InChIKey LQIKHTYHCXZKOT-JKIUYZKVSA-N
Mol Weight 368.54 g/mol
Molecular Formula C23H28O2S
Exact Mass 368.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80N31ZTSxWP
Name trans-Ethyl 3-((1SR,SR)-4-phenyl-1-(phenylthio)cyclohexyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O2S
InChI InChI=1S/C23H28O2S/c1-2-25-22(24)15-18-23(26-21-11-7-4-8-12-21)16-13-20(14-17-23)19-9-5-3-6-10-19/h3-12,20H,2,13-18H2,1H3/t20-,23-
InChIKey LQIKHTYHCXZKOT-JKIUYZKVSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 368.535 g/mol
Reported Formula C23H28O2S
SMILES C1C[C@](CC[C@]1(CCC(OCC)=O)Sc1ccccc1)(c1ccccc1)[H]
SPLASH splash10-0lxx-6930000000-e5edda3c808658f9ca9e
Source of Spectrum ASC-362-SM18-9k
Wiley ID 1855550