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3-Thiophenemalonic acid
SpectraBase Compound ID 2Ey7s0KYCkM
InChI InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)
InChIKey GCOOGCQWQFRJEK-UHFFFAOYSA-N
Mol Weight 186.18 g/mol
Molecular Formula C7H6O4S
Exact Mass 185.99868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fbGYFp0n1
Name 2-(3-Thienyl)malonic acid
CAS Registry Number 21080-92-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6O4S
InChI InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)
InChIKey GCOOGCQWQFRJEK-UHFFFAOYSA-N
Molecular Weight 186.181 g/mol
SMILES OC(C(C(=O)O)c1ccsc1)=O
SPLASH splash10-0005-9300000000-fd1de1ae406afbae9055
Source of Spectrum NP-17-7453-0
Synonyms 2-(3-Thienyl)propanedioic acid 2-(3-Thiophenyl)propanedioic acid 2-Thiophen-3-ylpropanedioic acid 3-Thienylmalonic acid 3-Thienylpropanedioic acid 3-Thiophenemalonic acid Propanedioic acid, 3-thienyl- Thiophene-3-malonic acid EINECS 244-198-9
Wiley ID 1102451