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1(3H)-Isobenzofuranone, 6,7-dihydroxy-
SpectraBase Compound ID IShRIJ6gbCJ
InChI InChI=1S/C8H6O4/c9-5-2-1-4-3-12-8(11)6(4)7(5)10/h1-2,9-10H,3H2
InChIKey QLKWSMTVTAYNOX-UHFFFAOYSA-N
Mol Weight 166.13 g/mol
Molecular Formula C8H6O4
Exact Mass 166.026609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EWjXk6t9c
Name 1(3H)-Isobenzofuranone, 6,7-dihydroxy-
CAS Registry Number 4741-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O4
InChI InChI=1S/C8H6O4/c9-5-2-1-4-3-12-8(11)6(4)7(5)10/h1-2,9-10H,3H2
InChIKey QLKWSMTVTAYNOX-UHFFFAOYSA-N
Molecular Weight 166.132 g/mol
SMILES Oc1c(ccc2COC(c12)=O)O
SPLASH splash10-0fri-5900000000-04d95842380ccdc5a7a8
Source of Spectrum SB-30-401-0
Synonyms 6,7-Dihydroxy-1(3H)-isobenzofuranone 6,7-Dihydroxy-3H-2-benzofuran-1-one 6,7-Dihydroxy-3H-isobenzofuran-1-one 6,7-bis(oxidanyl)-3H-2-benzofuran-1-one
Wiley ID 1162013