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2-Benzofuranacetic acid, 7-acetyl-4,6-dihydroxy-3,5-dimethyl-
SpectraBase Compound ID H46A7mVnaSJ
InChI InChI=1S/C14H14O6/c1-5-8(4-9(16)17)20-14-10(5)12(18)6(2)13(19)11(14)7(3)15/h18-19H,4H2,1-3H3,(H,16,17)
InChIKey GHYJIECWWDQSHW-UHFFFAOYSA-N
Mol Weight 278.26 g/mol
Molecular Formula C14H14O6
Exact Mass 278.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwV5WNPagEo
Name 2-Benzofuranacetic acid, 7-acetyl-4,6-dihydroxy-3,5-dimethyl-
CAS Registry Number 21987-08-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O6
InChI InChI=1S/C14H14O6/c1-5-8(4-9(16)17)20-14-10(5)12(18)6(2)13(19)11(14)7(3)15/h18-19H,4H2,1-3H3,(H,16,17)
InChIKey GHYJIECWWDQSHW-UHFFFAOYSA-N
Molecular Weight 278.260 g/mol
SMILES Oc1c(c(c(c2c1c(c(CC(=O)O)o2)C)C(=O)C)O)C
SPLASH splash10-001i-0090000000-9e01cf357a539a8b4254
Source of Spectrum T-68-3130-0
Synonyms (7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)acetic acid Usnetic acid 2-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-2-benzofuranyl)acetic acid 2-(7-acetyl-4,6-dihydroxy-3,5-dimethyl-1-benzofuran-2-yl)acetic acid 2-[7-ethanoyl-3,5-dimethyl-4,6-bis(oxidanyl)-1-benzofuran-2-yl]ethanoic acid
Wiley ID 1281735