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3-(3-Carboxy-propionyl)-2-hydroxy-6-methyl-benzoic acid, methyl ester
SpectraBase Compound ID CmqeJkD1axl
InChI InChI=1S/C13H14O6/c1-7-3-4-8(9(14)5-6-10(15)16)12(17)11(7)13(18)19-2/h3-4,17H,5-6H2,1-2H3,(H,15,16)
InChIKey NOBILVWEKMBRGR-UHFFFAOYSA-N
Mol Weight 266.25 g/mol
Molecular Formula C13H14O6
Exact Mass 266.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmqGAsaZ6Ji
Name 3-(3-Carboxy-propionyl)-2-hydroxy-6-methyl-benzoic acid, methyl ester
CAS Registry Number 56704-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O6
InChI InChI=1S/C13H14O6/c1-7-3-4-8(9(14)5-6-10(15)16)12(17)11(7)13(18)19-2/h3-4,17H,5-6H2,1-2H3,(H,15,16)
InChIKey NOBILVWEKMBRGR-UHFFFAOYSA-N
Molecular Weight 266.249 g/mol
SMILES OC(CCC(c1ccc(c(c1O)C(=O)OC)C)=O)=O
SPLASH splash10-03di-5920000000-eadfc77d854590e35ce3
Synonyms 4-(2-hydroxy-3-methoxycarbonyl-4-methyl-phenyl)-4-oxo-butanoic acid 4-(3-carbomethoxy-2-hydroxy-4-methyl-phenyl)-4-keto-butyric acid 4-(3-Methoxycarbonyl-4-methyl-2-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid
Wiley ID 1484399