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2-(hydroxymethyl)-2-methyl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-5-one
SpectraBase Compound ID 1EfuW202Fxc
InChI InChI=1S/C14H14O4/c1-14(8-15)7-6-10-12(18-14)9-4-2-3-5-11(9)17-13(10)16/h2-5,15H,6-8H2,1H3
InChIKey MGGCJHKMPYYLPX-UHFFFAOYSA-N
Mol Weight 246.26 g/mol
Molecular Formula C14H14O4
Exact Mass 246.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dk7AsgxsX0J
Name 2-(hydroxymethyl)-2-methyl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-5-one
Alternate Name(s) 2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[3,2-c]chromen-5-one 2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[3,2-c][1]benzopyran-5-one 2-methyl-2-methylol-3,4-dihydropyrano[3,2-c]chromen-5-one
CAS Registry Number 104250-10-4
Comments Less than 3 mono-isotopic peaks
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Formula C14H14O4
InChI InChI=1S/C14H14O4/c1-14(8-15)7-6-10-12(18-14)9-4-2-3-5-11(9)17-13(10)16/h2-5,15H,6-8H2,1H3
InChIKey MGGCJHKMPYYLPX-UHFFFAOYSA-N
Molecular Weight 246.262 g/mol
SMILES OCC1(OC2=C(C(=O)Oc3c2cccc3)CC1)C
SPLASH splash10-0006-9020000000-1ee385d45c0c6ce91721
Source of Spectrum J-59-5562-17
Wiley ID 1248987