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Benzeneacetic acid, 4-formyl-3,5-dihydroxy-2-(methoxycarbonyl)-, methyl ester
SpectraBase Compound ID 9bNRVNc2Szj
InChI InChI=1S/C12H12O7/c1-18-9(15)4-6-3-8(14)7(5-13)11(16)10(6)12(17)19-2/h3,5,14,16H,4H2,1-2H3
InChIKey KSEGYPIYJMRSOL-UHFFFAOYSA-N
Mol Weight 268.22 g/mol
Molecular Formula C12H12O7
Exact Mass 268.058303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHbwFwt2NB
Name Benzeneacetic acid, 4-formyl-3,5-dihydroxy-2-(methoxycarbonyl)-, methyl ester
CAS Registry Number 61067-63-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O7
InChI InChI=1S/C12H12O7/c1-18-9(15)4-6-3-8(14)7(5-13)11(16)10(6)12(17)19-2/h3,5,14,16H,4H2,1-2H3
InChIKey KSEGYPIYJMRSOL-UHFFFAOYSA-N
Molecular Weight 268.221 g/mol
SMILES Oc1cc(c(c(c1C=O)O)C(=O)OC)CC(=O)OC
SPLASH splash10-0a4i-0490000000-e2032b3435fe64e22641
Source of Spectrum C-98-7740-0
Synonyms Methyl 3-formyl-2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)benzoate Methyl-6-(carbomethoxymethyl)-3-formyl-.beta.-resorcyelate
Wiley ID 1271706