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2-(2-carboxyethyl)-5-ethyl-benzoic acid

View entire compound with spectra: 1 MS (GC)

2-(2-carboxyethyl)-5-ethyl-benzoic acid
SpectraBase Compound ID KlsWQu1gsdo
InChI InChI=1S/C12H14O4/c1-2-8-3-4-9(5-6-11(13)14)10(7-8)12(15)16/h3-4,7H,2,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKey BSNJKNOAFKJDPK-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlCQvtKyval
Name 2-(2-carboxyethyl)-5-ethyl-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-2-8-3-4-9(5-6-11(13)14)10(7-8)12(15)16/h3-4,7H,2,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKey BSNJKNOAFKJDPK-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OC(c1c(CCC(=O)O)ccc(c1)CC)=O
SPLASH splash10-004i-0920000000-f0468161fe717253c6a7
Source of Spectrum K1-2001-1666-10
Synonyms 2-(2-carboxyethyl)-5-ethylbenzoic acid
Wiley ID 846425