2-[2,6-Dihydroxy-4-(methoxycarbonyl)benzoyl]-3-hydroxybenzoic acid

enlarge

Systematic / IUPAC Name: 2-[2,6-Dihydroxy-4-(methoxycarbonyl)benzoyl]-3-hydroxybenzoic acid

ID: Reference7568

Other Names: Benzoic acid, 4-(2-carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-, 1-methyl ester

Formula: C16H12O8

Spectral Data

2-[2,6-Dihydroxy-4-(methoxycarbonyl)benzoyl]-3-hydroxybenzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/16/2018 2:22:15 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H12O8/c1-24-16(23)7-5-10(18)13(11(19)6-7)14(20)12-8(15(21)22)3-2-4-9(12)17/h2-6,17-19H,1H3,(H,21,22)
InChI Key QPQRGIHXJVTGCW-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=CC(=C(C(=C1)O)C(=O)C2=C(C=CC=C2O)C(=O)O)O
CAS
Splash
Other Names Benzoic acid, 4-(2-carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-, 1-methyl ester

In Other Databases

ChemSpider 22369928
PubChem 23843956