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4-([13C]Methyl)-5,7-dimethoxy[4-(13)C]-1(2H)-benzopyran-2-one
SpectraBase Compound ID 6JJ4UnNDAh8
InChI InChI=1S/C12H12O4/c1-7-4-11(13)16-10-6-8(14-2)5-9(15-3)12(7)10/h4-6H,1-3H3/i1+1,7+1
InChIKey WFSKVHPOKPQJSU-SPBYTNOZSA-N
Mol Weight 222.21 g/mol
Molecular Formula C1013C2H12O4
Exact Mass 222.080269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID o7u3jP6pjD
Name 4-([13C]Methyl)-5,7-dimethoxy[4-(13)C]-1(2H)-benzopyran-2-one
Comments Original formula: C10[13C]2H12O4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-7-4-11(13)16-10-6-8(14-2)5-9(15-3)12(7)10/h4-6H,1-3H3/i1+1,7+1
InChIKey WFSKVHPOKPQJSU-SPBYTNOZSA-N
Molecular Weight 222.209 g/mol
SMILES [13CH3][13C]=1c2c(cc(cc2OC)OC)OC(C1)=O
SPLASH splash10-00fu-0960000000-d2dd7e9e504056c86846
Source of Spectrum F-50-7605-1
Wiley ID 1219700