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(E,4S)-4,8-dimethyl-4-[1-oxo-2-(phenylthio)ethoxy]-2-nonenoic acid methyl ester
SpectraBase Compound ID AZhSaSksJKN
InChI InChI=1S/C20H28O4S/c1-16(2)9-8-13-20(3,14-12-18(21)23-4)24-19(22)15-25-17-10-6-5-7-11-17/h5-7,10-12,14,16H,8-9,13,15H2,1-4H3/b14-12+/t20-/m0/s1
InChIKey LZNYOJMPGGRJQQ-PKHIPVCBSA-N
Mol Weight 364.5 g/mol
Molecular Formula C20H28O4S
Exact Mass 364.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZFP2yqVTVM
Name (E,4S)-4,8-dimethyl-4-[1-oxo-2-(phenylthio)ethoxy]-2-nonenoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4S
InChI InChI=1S/C20H28O4S/c1-16(2)9-8-13-20(3,14-12-18(21)23-4)24-19(22)15-25-17-10-6-5-7-11-17/h5-7,10-12,14,16H,8-9,13,15H2,1-4H3/b14-12+/t20-/m0/s1
InChIKey LZNYOJMPGGRJQQ-PKHIPVCBSA-N
Molecular Weight 364.500 g/mol
SMILES C(\C=C\[C@@](OC(=O)CSc1ccccc1)(CCCC(C)C)C)(=O)OC
SPLASH splash10-00di-4900000000-1d31dd1556f9dd66adf6
Source of Spectrum J-59-4469-23
Synonyms (E,4S)-4,8-dimethyl-4-[2-(phenylthio)acetyl]oxy-non-2-enoic acid methyl ester Methyl (E,4S)-4,8-dimethyl-4-(2-phenylsulfanylacetyl)oxy-non-2-enoate Methyl (E,4S)-4,8-dimethyl-4-(2-phenylsulfanylethanoyloxy)non-2-enoate
Wiley ID 1350773