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2-[(4-ethoxy-2,4-diketo-butyl)thio]benzoic acid methyl ester
SpectraBase Compound ID IEbIpyTAAaZ
InChI InChI=1S/C14H16O5S/c1-3-19-13(16)8-10(15)9-20-12-7-5-4-6-11(12)14(17)18-2/h4-7H,3,8-9H2,1-2H3
InChIKey NMKFNLDPIBHLCH-UHFFFAOYSA-N
Mol Weight 296.34 g/mol
Molecular Formula C14H16O5S
Exact Mass 296.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaRszeVjTer
Name 2-[(4-ethoxy-2,4-diketo-butyl)thio]benzoic acid methyl ester
CAS Registry Number 131327-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O5S
InChI InChI=1S/C14H16O5S/c1-3-19-13(16)8-10(15)9-20-12-7-5-4-6-11(12)14(17)18-2/h4-7H,3,8-9H2,1-2H3
InChIKey NMKFNLDPIBHLCH-UHFFFAOYSA-N
Molecular Weight 296.337 g/mol
SMILES c1(C(=O)OC)c(SCC(CC(=O)OCC)=O)cccc1
SPLASH splash10-0002-9840000000-2ee995a4cac66f24d903
Source of Spectrum F-46-6537-8
Synonyms 2-[(4-ethoxy-2,4-dioxobutyl)thio]benzoic acid methyl ester Methyl 2-[4-ethoxy-2,4-bis(oxidanylidene)butyl]sulfanylbenzoate Methyl 2-(4-ethoxy-2,4-dioxobutyl)sulfanylbenzoate
Wiley ID 1298767