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2-(3-Thienyl)pentanoic acid
SpectraBase Compound ID 22pkaqgvaxe
InChI InChI=1S/C9H12O2S/c1-2-3-8(9(10)11)7-4-5-12-6-7/h4-6,8H,2-3H2,1H3,(H,10,11)
InChIKey HPHZBRUFKUKARD-UHFFFAOYSA-N
Mol Weight 184.25 g/mol
Molecular Formula C9H12O2S
Exact Mass 184.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HLOjb9B1Fu
Name 2-(3-Thienyl)pentanoic acid
Alternate Name(s) 2-(3-Thiophenyl)pentanoic acid 2-Thiophen-3-ylpentanoic acid
CAS Registry Number 132526-07-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2S
InChI InChI=1S/C9H12O2S/c1-2-3-8(9(10)11)7-4-5-12-6-7/h4-6,8H,2-3H2,1H3,(H,10,11)
InChIKey HPHZBRUFKUKARD-UHFFFAOYSA-N
Molecular Weight 184.253 g/mol
SMILES OC(C(c1cscc1)CCC)=O
SPLASH splash10-0005-9700000000-97e68658d027cfe597b0
Source of Spectrum KC-1990-2913-12
Wiley ID 1180300