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(+-)-cis-[2',3'-2H2]Marmesin ((+-)-trans-(2-(1-Hydroxy-1-methylethyl)-[3-2H]-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)
SpectraBase Compound ID GirvwVyuWWS
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/t6-,12+/m1
InChIKey FWYSBEAFFPBAQU-XQGZQFPTSA-N
Mol Weight 247.27 g/mol
Molecular Formula C14H13DO4
Exact Mass 247.095486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59Exx5WrXfL
Name (+-)-cis-[2',3'-2H2]Marmesin ((+-)-trans-(2-(1-Hydroxy-1-methylethyl)-[3-2H]-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)
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Formula C14H13DO4
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/t6-,12+/m1
InChIKey FWYSBEAFFPBAQU-XQGZQFPTSA-N
Molecular Weight 247.268 g/mol
SMILES OC([C@@]1([C@@](c2c(O1)cc1c(c2)C=CC(O1)=O)([D])[H])[H])(C)C
SPLASH splash10-000i-1920000000-51ce69042c0cee8c08f1
Source of Spectrum F-53-17707-3
Wiley ID 805005