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4-HYDROXY-MELLEIN;4,8-DIHYDROXY-3-METHYL-BENZOPYRAN-1-ONE
SpectraBase Compound ID 6fSA5yyh5rv
InChI InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3
InChIKey STSOHAOGZMLWFR-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 DLxaEo9bzOC
Name 1H-2-Benzopyran-1-one, 3,4-dihydro-4,8-dihydroxy-3-methyl-
Alternate Name(s) Isocoumarin, 3,4-dihydro-4,8-dihydroxy-3-methyl- 3-Methyl-4,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one 3-Methyl-4,8-dihydroxy-3,4-dihydroisocoumarin 4,8-Dihydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one 4,8-Dihydroxy-3-methyl-3,4-dihydroisochromen-1-one 4,8-Dihydroxy-3-methyl-isochroman-1-one 4-Hydroxymellein
CAS Registry Number 33788-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O4
InChI InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3
InChIKey STSOHAOGZMLWFR-UHFFFAOYSA-N
Molecular Weight 194.186 g/mol
SMILES Oc1cccc2c1C(OC(C2O)C)=O
SPLASH splash10-00dj-0900000000-3467e86b32bdc5609b67
Source of Spectrum MY-1981-0-0
Wiley ID 1190401