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3,4-Thiophenediacetic acid, 2,5-dimethyl-
SpectraBase Compound ID 9Wyg0hdncSq
InChI InChI=1S/C10H12O4S/c1-5-7(3-9(11)12)8(4-10(13)14)6(2)15-5/h3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKey YDGZRCSSGHKOPV-UHFFFAOYSA-N
Mol Weight 228.26 g/mol
Molecular Formula C10H12O4S
Exact Mass 228.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iPOyn6rGIy
Name 3,4-Thiophenediacetic acid, 2,5-dimethyl-
Alternate Name(s) 2,5-Dimethyl-3,4-dicarboxymethyl-thiophene [4-(carboxymethyl)-2,5-dimethyl-3-thienyl]acetic acid
CAS Registry Number 33674-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4S
InChI InChI=1S/C10H12O4S/c1-5-7(3-9(11)12)8(4-10(13)14)6(2)15-5/h3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKey YDGZRCSSGHKOPV-UHFFFAOYSA-N
Molecular Weight 228.262 g/mol
SMILES OC(Cc1c(CC(=O)O)c(sc1C)C)=O
SPLASH splash10-002r-6910000000-360982bed66c381b75f5
Source of Spectrum SM-1986-115-0
Wiley ID 1229201