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(2S,4S)-2-Benzoylthiohex-4-yl benzoate
SpectraBase Compound ID KuO5XyV15wH
InChI InChI=1S/C20H22O3S/c1-3-18(23-19(21)16-10-6-4-7-11-16)14-15(2)24-20(22)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3/t15-,18-/m0/s1
InChIKey PKNMAMYEHVCXSY-YJBOKZPZSA-N
Mol Weight 342.45 g/mol
Molecular Formula C20H22O3S
Exact Mass 342.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJURWCJ0eXF
Name (2S,4S)-2-Benzoylthiohex-4-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O3S
InChI InChI=1S/C20H22O3S/c1-3-18(23-19(21)16-10-6-4-7-11-16)14-15(2)24-20(22)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3/t15-,18-/m0/s1
InChIKey PKNMAMYEHVCXSY-YJBOKZPZSA-N
Molecular Weight 342.453 g/mol
SMILES C(S[C@](C[C@@](OC(=O)c1ccccc1)(CC)[H])(C)[H])(=O)c1ccccc1
SPLASH splash10-0a4i-0920000000-55e076caaea5cae6188f
Source of Spectrum KD-16-903-11
Synonyms (1S,3S)-3-(benzoylsulfanyl)-1-ethylbutyl benzoate
Wiley ID 1636932