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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 LHpM3pPS87M
Name BENZENEBUTANOIC ACID, 2-CARBOXY-gamma-OXO-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 222.0525
SMILES OC(CCC(c1c(C(O)=O)cccc1)=O)=O
SPLASH splash10-0002-3900000000-a9fc9b5c747484c1d088
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany