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Butanoic acid, 4-[[(4-methoxyphenyl)thioxomethyl]thio]-, methyl ester
SpectraBase Compound ID 5byyqCZEfFv
InChI InChI=1S/C13H16O3S2/c1-15-11-7-5-10(6-8-11)13(17)18-9-3-4-12(14)16-2/h5-8H,3-4,9H2,1-2H3
InChIKey ZDUHVJRCEIZODX-UHFFFAOYSA-N
Mol Weight 284.39 g/mol
Molecular Formula C13H16O3S2
Exact Mass 284.054087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GznY3r7aWHH
Name Butanoic acid, 4-[[(4-methoxyphenyl)thioxomethyl]thio]-, methyl ester
Alternate Name(s) Methyl 4-[(4-methoxybenzothioyl)sulfanyl]butanoate 4-[(4-methoxythiobenzoyl)thio]butyric acid methyl ester 4-[[(4-methoxyphenyl)-sulfanylidenemethyl]thio]butanoic acid methyl ester Methyl 4-(4-methoxybenzenecarbothioyl)sulfanylbutanoate Methyl 4-(4-methoxyphenyl)carbothioylsulfanylbutanoate
CAS Registry Number 36122-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S2
InChI InChI=1S/C13H16O3S2/c1-15-11-7-5-10(6-8-11)13(17)18-9-3-4-12(14)16-2/h5-8H,3-4,9H2,1-2H3
InChIKey ZDUHVJRCEIZODX-UHFFFAOYSA-N
Molecular Weight 284.388 g/mol
SMILES COc1ccc(cc1)C(=S)SCCCC(=O)OC
SPLASH splash10-0udi-1900000000-21d505dce7a358a9f4f0
Source of Spectrum EP-7167-0-0
Wiley ID 1287507