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4-Hydroxybenzyl-2',4'-dihydroxyphenyl [13C]ketone
SpectraBase Compound ID HqIiZp9eukF
InChI InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2/i13+1
InChIKey KLFCJXAPIFIIFR-KCKQSJSWSA-N
Mol Weight 245.24 g/mol
Molecular Formula C1313CH12O4
Exact Mass 245.076914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYfwhdzfqcs
Name 4-Hydroxybenzyl-2',4'-dihydroxyphenyl [13C]ketone
Alternate Name(s) 1-[2,4-bis(oxidanyl)phenyl]-2-(4-hydroxyphenyl)ethanone
Comments Original formula: C13[13C]H12O4
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Formula C14H12O4
InChI InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2/i13+1
InChIKey KLFCJXAPIFIIFR-KCKQSJSWSA-N
Molecular Weight 245.238 g/mol
SMILES Oc1ccc(c(c1)O)[13C](Cc1ccc(cc1)O)=O
SPLASH splash10-00di-0920000000-30c5467c8cb350136296
Source of Spectrum F-56-459-12
Wiley ID 855499