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NIGROLINEABENZOPYRAN_A;5,7-DIHYDROXY-2,2-DIMETHYL-6-METHYLCARBOXYBENZOPYRAN
SpectraBase Compound ID 2cDzOlyVQuR
InChI InChI=1S/C13H14O5/c1-13(2)5-4-7-9(18-13)6-8(14)10(11(7)15)12(16)17-3/h4-6,14-15H,1-3H3
InChIKey GKOKHOHRWCGSLJ-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8foSiPjAw9
Name 5,7-Dihydroxy-2,2-dimethyl-1-benzopyran-6-carboxylic acid methyl ester
Alternate Name(s) 5,7-Dihydroxy-2,2-dimethyl-chromene-6-carboxylic acid methyl ester Methyl 2,2-dimethyl-5,7-bis(oxidanyl)chromene-6-carboxylate Methyl 5,7-dihydroxy-2,2-dimethyl-chromene-6-carboxylate
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Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-13(2)5-4-7-9(18-13)6-8(14)10(11(7)15)12(16)17-3/h4-6,14-15H,1-3H3
InChIKey GKOKHOHRWCGSLJ-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES Oc1c(c(c2C=CC(Oc2c1)(C)C)O)C(=O)OC
SPLASH splash10-0f80-5090000000-c732e8fd71afb250bfa0
Source of Spectrum X2-68-1220-1
Wiley ID 1609653