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4,6-DIHYDROXY-5-METHYLPHTHALIDE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4,6-DIHYDROXY-5-METHYLPHTHALIDE
SpectraBase Compound ID 2tnkaIUKuIU
InChI InChI=1S/C9H8O4/c1-4-7(10)2-5-6(8(4)11)3-13-9(5)12/h2,10-11H,3H2,1H3
InChIKey QJBPRJDMIUSGLF-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPEmNwJl9Vh
Name 1(3H)-Isobenzofuranone, 4,6-dihydroxy-5-methyl-
CAS Registry Number 52231-37-5
Comments Less than 3 mono-isotopic peaks
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Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-4-7(10)2-5-6(8(4)11)3-13-9(5)12/h2,10-11H,3H2,1H3
InChIKey QJBPRJDMIUSGLF-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES Oc1c(c(cc2c1COC2=O)O)C
SPLASH splash10-0ue9-0900000000-625ed27a73a263e18dfd
Source of Spectrum I-68-2092-3
Synonyms 4,6-dihydroxy-5-methyl-3H-2-benzofuran-1-one 4,6-dihydroxy-5-methyl-3H-isobenzofuran-1-one 5-methyl-4,6-bis(oxidanyl)-3H-2-benzofuran-1-one
Wiley ID 1175944