3,5-Dihydroxy-7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid

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Systematic / IUPAC Name: 3,5-Dihydroxy-7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid

ID: Reference7603

Other Names: 4-Isobenzofurancarboxylic acid, 1,3-dihydro-3,5-dihydroxy-7-methoxy-6-methyl-1-oxo-

Formula: C11H10O7

Spectral Data

3,5-Dihydroxy-7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2018 11:35:28 AM
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Identificators

InChI InChI=1S/C11H10O7/c1-3-7(12)5(9(13)14)4-6(8(3)17-2)11(16)18-10(4)15/h10,12,15H,1-2H3,(H,13,14)
InChI Key MUGQOWYFWURKCM-UHFFFAOYSA-N
Canonical SMILES CC1=C(C2=C(C(OC2=O)O)C(=C1O)C(=O)O)OC
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Other Names 4-Isobenzofurancarboxylic acid, 1,3-dihydro-3,5-dihydroxy-7-methoxy-6-methyl-1-oxo-

In Other Databases

ChemSpider 22369818
PubChem 44715406