3-(2,6-Dihydroxyphenyl)-4-hydroxy-6-methyl-2-benzofuran-1(3H)-one

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Systematic / IUPAC Name: 3-(2,6-Dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one

ID: Reference7876

Other Names: 1(3H)-Isobenzofuranone, 3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-

Formula: C15H12O5

Spectral Data

3-(2,6-Dihydroxyphenyl)-4-hydroxy-6-methyl-2-benzofuran-1(3H)-one 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 3
No. of Spectra 2634
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/2/2018 6:30:50 AM
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Identificators

InChI InChI=1S/C15H12O5/c1-7-5-8-12(11(18)6-7)14(20-15(8)19)13-9(16)3-2-4-10(13)17/h2-6,14,16-18H,1H3
InChI Key GYCHRCQMZRMPJA-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C2C(OC(=O)C2=C1)C3=C(C=CC=C3O)O)O
CAS
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Other Names 1(3H)-Isobenzofuranone, 3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-

In Other Databases

ChemSpider 22369745
PubChem 23789045