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3-Thiopheneacetic acid, 2-(1-oxo-5-hexynyl)-
SpectraBase Compound ID CWHyzBiMnVs
InChI InChI=1S/C12H12O3S/c1-2-3-4-5-10(13)12-9(6-7-16-12)8-11(14)15/h1,6-7H,3-5,8H2,(H,14,15)
InChIKey OASPTYCDBNRHJZ-UHFFFAOYSA-N
Mol Weight 236.28 g/mol
Molecular Formula C12H12O3S
Exact Mass 236.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MiK0DMXzVv
Name 3-Thiopheneacetic acid, 2-(1-oxo-5-hexynyl)-
CAS Registry Number 132526-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3S
InChI InChI=1S/C12H12O3S/c1-2-3-4-5-10(13)12-9(6-7-16-12)8-11(14)15/h1,6-7H,3-5,8H2,(H,14,15)
InChIKey OASPTYCDBNRHJZ-UHFFFAOYSA-N
Molecular Weight 236.285 g/mol
SMILES OC(Cc1c(scc1)C(=O)CCCC#C)=O
SPLASH splash10-0006-0900000000-f5f8e99cfb37cb845571
Source of Spectrum KC-1990-2916-16
Synonyms 2-Hex-5-ynoyl-3-thienylacetic acid [2-(5-hexynoyl)-3-thienyl]acetic acid
Wiley ID 1237788