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rel-(3R,4R)-3-Acetoxy-4-phenylthio-1-cyclohexene
SpectraBase Compound ID 5iGAYCv1sRo
InChI InChI=1S/C14H16O2S/c1-11(15)16-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h2-5,7-9,13-14H,6,10H2,1H3/t13-,14-/m1/s1
InChIKey XOVLEISDLNYOMK-ZIAGYGMSSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YvYncpcNuI
Name rel-(3R,4R)-3-Acetoxy-4-phenylthio-1-cyclohexene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c1-11(15)16-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h2-5,7-9,13-14H,6,10H2,1H3/t13-,14-/m1/s1
InChIKey XOVLEISDLNYOMK-ZIAGYGMSSA-N
Molecular Weight 248.340 g/mol
SMILES C1=C[C@]([C@@](CC1)(Sc1ccccc1)[H])(OC(=O)C)[H]
SPLASH splash10-000i-0920000000-6b3b5222aa6653b2c1e9
Source of Spectrum AJ-66-853-1
Synonyms (1R,6R)-6-(phenylsulfanyl)-2-cyclohexen-1-yl acetate
Wiley ID 771885