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Methyl (1R)-3-Methyl-4-[(phenylthio)acetoxy]dec-2(E)-enoate
SpectraBase Compound ID 5afgQ9GHcmL
InChI InChI=1S/C20H28O4S/c1-4-5-6-10-13-18(16(2)14-19(21)23-3)24-20(22)15-25-17-11-8-7-9-12-17/h7-9,11-12,14,18H,4-6,10,13,15H2,1-3H3/b16-14+/t18-/m1/s1
InChIKey VCWVPHOENHSSMV-QRURKXGXSA-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 3Q4u6kATdT6
Name Methyl (1R)-3-Methyl-4-[(phenylthio)acetoxy]dec-2(E)-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4S
InChI InChI=1S/C20H28O4S/c1-4-5-6-10-13-18(16(2)14-19(21)23-3)24-20(22)15-25-17-11-8-7-9-12-17/h7-9,11-12,14,18H,4-6,10,13,15H2,1-3H3/b16-14+/t18-/m1/s1
InChIKey VCWVPHOENHSSMV-QRURKXGXSA-N
Molecular Weight 364.500 g/mol
SMILES [C@](\C(=C\C(=O)OC)C)(OC(=O)CSc1ccccc1)(CCCCCC)[H]
SPLASH splash10-0092-3900000000-a9a88d524ecc62c9e2d3
Source of Spectrum J-59-4469-15
Synonyms (E,4R)-3-methyl-4-[1-oxo-2-(phenylthio)ethoxy]-2-decenoic acid methyl ester Methyl (E,4R)-3-methyl-4-(2-phenylsulfanylacetyl)oxydec-2-enoate Methyl (E,4R)-3-methyl-4-(2-phenylsulfanylacetyl)oxy-dec-2-enoate Methyl (E,4R)-3-methyl-4-(2-phenylsulfanylethanoyloxy)dec-2-enoate
Wiley ID 1350774