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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 L1Xtc57oJ3Y
Name 3-(3-CARBOXY-PROPIONYL)-2-HYDROXY-6-METHYLBENZOIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 266.0786
SMILES Oc1c(C(CCC(O)=O)=O)ccc(c1C(OC)=O)C
SPLASH splash10-03di-5920000000-e8a4466b64cee8cea6d7
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany