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HTIGGDUSWKLPKV-UHFFFAOYSA-N
SpectraBase Compound ID BmChzlKldL0
InChI InChI=1S/C9H12O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h3H,1-2,4-6H2,(H,11,12)
InChIKey HTIGGDUSWKLPKV-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4CzCmEQQgU
Name 3-(6-oxocyclohex-1-enyl)propanoic acid
Alternate Name(s) 3-(6-oxocyclohex-1-en-1-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h3H,1-2,4-6H2,(H,11,12)
InChIKey HTIGGDUSWKLPKV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19883300309
Molecular Weight 168.192 g/mol
SMILES OC(CCC=1C(=O)CCCC1)=O
SPLASH splash10-0fk9-8900000000-95bc5a824b5b4f92abe5
Source of Spectrum JF-330-403-8b
Wiley ID 1791654