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Ethanethioic acid, S-[1-[4-(acetyloxy)-3-methoxyphenyl]ethyl]ester
SpectraBase Compound ID LIcETcLVbyt
InChI InChI=1S/C13H16O4S/c1-8(16-10(3)18)11-5-6-12(17-9(2)14)13(7-11)15-4/h5-8H,1-4H3
InChIKey UBULSHRRLGGCPG-UHFFFAOYSA-N
Mol Weight 268.33 g/mol
Molecular Formula C13H16O4S
Exact Mass 268.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfUOWvAX8Aj
Name Ethanethioic acid, S-[1-[4-(acetyloxy)-3-methoxyphenyl]ethyl]ester
Alternate Name(s) 1-(4-Acetoxy-3-methoxy-3-methoxyphenyl)-ethanethioacetate 1-(4-Acetoxy-3-methoxyphenyl)-ethanethioacetate 4-[1-(ethanethioyloxy)ethyl]-2-methoxyphenyl acetate
CAS Registry Number 68946-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-8(16-10(3)18)11-5-6-12(17-9(2)14)13(7-11)15-4/h5-8H,1-4H3
InChIKey UBULSHRRLGGCPG-UHFFFAOYSA-N
Molecular Weight 268.327 g/mol
SMILES c1(c(cc(cc1)C(OC(=S)C)C)OC)OC(=O)C
SPLASH splash10-0udi-0900000000-122494c14e8856d28b13
Source of Spectrum SB-32-586-0
Wiley ID 1271819