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Benzene, 1,3-bis(1-carboxyethyl)-

View entire compound with spectra: 2 MS (GC)

Benzene, 1,3-bis(1-carboxyethyl)-
SpectraBase Compound ID HEeHS1GyaJn
InChI InChI=1S/C12H14O4/c1-7(11(13)14)9-4-3-5-10(6-9)8(2)12(15)16/h3-8H,1-2H3,(H,13,14)(H,15,16)
InChIKey PHXWBSFYMBDHFG-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 27S56KNaA1l
Name Benzene, 1,3-bis(1-carboxyethyl)-
Alternate Name(s) 2-[3-(1-carboxyethyl)phenyl]propanoic acid 2-[3-(1-hydroxy-1-oxopropan-2-yl)phenyl]propanoic acid 2-[3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propanoic acid
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Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-7(11(13)14)9-4-3-5-10(6-9)8(2)12(15)16/h3-8H,1-2H3,(H,13,14)(H,15,16)
InChIKey PHXWBSFYMBDHFG-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OC(C(c1cccc(C(C(O)=O)C)c1)C)=O
SPLASH splash10-003r-3900000000-d81c3ab149879c7dd476
Wiley ID 1494524