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2-(3-Carboxypropanoyl)benzoic acid
SpectraBase Compound ID DJVH8h0JD6N
InChI InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKey YIVWQNVQRXFZJB-UHFFFAOYSA-N
Mol Weight 222.2 g/mol
Molecular Formula C11H10O5
Exact Mass 222.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtENFqD0Ct9
Name 2-(3-Carboxypropanoyl)benzoic acid
CAS Registry Number 27415-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O5
InChI InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKey YIVWQNVQRXFZJB-UHFFFAOYSA-N
Molecular Weight 222.196 g/mol
SMILES OC(c1ccccc1C(CCC(=O)O)=O)=O
SPLASH splash10-0f6t-3900000000-a7a753419d535511e703
Source of Spectrum D-14-404-0
Synonyms 2-(4-oxidanyl-4-oxidanylidene-butanoyl)benzoic acid 2-Succinylbenzoate 4-(2'-Carboxyphenyl)-4-oxobutyrate 4-(2'-Carboxyphenyl)-4-oxobutyric acid 4-(2-Carboxyphenyl)-4-oxobutanoic acid Benzenebutanoic acid, 2-carboxy-.gamma.-oxo- Benzenebutanoic acid, 2-carboxy-gamma-oxo- Benzoic acid, o-(3-carboxypropionyl)- O-succinylbenzoic acid
Wiley ID 1221972