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6,8-dihydroxy-3-methylisochroman-1-one
SpectraBase Compound ID 4GdN1tQEMwj
InChI InChI=1S/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3
InChIKey DHLPMLVSBRRUGA-UHFFFAOYSA-N
Mol Weight 194.19 g/mol
Molecular Formula C10H10O4
Exact Mass 194.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsaaW6MDRP0
Name 6,8-Dihydroxy-3-methyl-3,4-dihydro-isocoumarin
CAS Registry Number 19314-92-2
Comments Less than 3 mono-isotopic peaks
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Formula C10H10O4
InChI InChI=1S/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3
InChIKey DHLPMLVSBRRUGA-UHFFFAOYSA-N
Molecular Weight 194.186 g/mol
SMILES Oc1cc2CC(OC(c2c(c1)O)=O)C
SPLASH splash10-002f-0900000000-8b7092583ef7e32109a1
Source of Spectrum CRT-6-47-2
Synonyms 1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-methyl- 6-Hydroxy-Mellein 3-Methyl-6,8-dihydroxy-2,3-dihydro-isobenzopyran-1(1H)-one Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-methyl- 6,8-Dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one 6,8-dihydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one 3-methyl-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one 6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one 6,8-dihydroxy-3-methyl-isochroman-1-one
Wiley ID 1709383