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(+-)-cis-[8,3'-2H2]Marmesin ((+-)-cis-(2-(1-Hydroxy-1-methylethyl)-[3,9-2H2]-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)
SpectraBase Compound ID LSfSfzWMQIz
InChI InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1/i6D,7D/t6-,12+/m1
InChIKey FWYSBEAFFPBAQU-WAMHAZKISA-N
Mol Weight 248.27 g/mol
Molecular Formula C14H12D2O4
Exact Mass 248.101762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClmOWKLRz10
Name (+-)-cis-[8,3'-2H2]Marmesin ((+-)-cis-(2-(1-Hydroxy-1-methylethyl)-[3,9-2H2]-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)
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Formula C14H12D2O4
InChI InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1/i6D,7D/t6-,12+/m1
InChIKey FWYSBEAFFPBAQU-WAMHAZKISA-N
Molecular Weight 248.274 g/mol
SMILES OC([C@]1(Oc2c([C@]1([D])[H])cc1c(c2[D])OC(=O)C=C1)[H])(C)C
SPLASH splash10-06rm-1930000000-6dbd8ccf322dd344f942
Source of Spectrum F-53-17708-3
Wiley ID 805004