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3,5-Dioxo-5-thiophen-2-yl-pentanoic acid methyl ester
SpectraBase Compound ID ArYKHXRTqZ2
InChI InChI=1S/C10H10O4S/c1-14-10(13)6-7(11)5-8(12)9-3-2-4-15-9/h2-4H,5-6H2,1H3
InChIKey LCOFBMDRCVETRO-UHFFFAOYSA-N
Mol Weight 226.25 g/mol
Molecular Formula C10H10O4S
Exact Mass 226.02998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ax3xiPj1wpr
Name 3,5-Dioxo-5-thiophen-2-yl-pentanoic acid methyl ester
Alternate Name(s) Methyl 3,5-dioxo-5-(thiazol-2'-yl)-pentanoate Methyl 3,5-dioxo-5-(thiophen-2-yl)pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O4S
InChI InChI=1S/C10H10O4S/c1-14-10(13)6-7(11)5-8(12)9-3-2-4-15-9/h2-4H,5-6H2,1H3
InChIKey LCOFBMDRCVETRO-UHFFFAOYSA-N
Molecular Weight 226.246 g/mol
SMILES c1(C(CC(CC(=O)OC)=O)=O)sccc1
SPLASH splash10-03xr-1900000000-5557b93808433fa9a0f7
Source of Spectrum F5-6-3369-9
Wiley ID 1733588