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(+-)-[2",2",2",3",3",3''-2H6]Marmesin ((+-)-(2-(1-Hydroxy-1-2H3]methyl-[2,2,2-2H3]ethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)

View entire compound with spectra: 1 MS (GC)

(+-)-[2",2",2",3",3",3''-2H6]Marmesin ((+-)-(2-(1-Hydroxy-1-2H3]methyl-[2,2,2-2H3]ethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)
SpectraBase Compound ID IsAinzW4mjX
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/i1D3,2D3
InChIKey FWYSBEAFFPBAQU-SLIMCJFGSA-N
Mol Weight 252.3 g/mol
Molecular Formula C14H8D6O4
Exact Mass 252.126869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFwLRHO7ijb
Name (+-)-[2",2",2",3",3",3''-2H6]Marmesin ((+-)-(2-(1-Hydroxy-1-2H3]methyl-[2,2,2-2H3]ethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)
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Formula C14H8D6O4
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/i1D3,2D3
InChIKey FWYSBEAFFPBAQU-SLIMCJFGSA-N
Molecular Weight 252.299 g/mol
SMILES OC(C([D])([D])[D])(C([D])([D])[D])[C@]1(Oc2cc3OC(=O)C=Cc3cc2C1)[H]
SPLASH splash10-000i-1920000000-d781151d945a74dc0910
Source of Spectrum F-53-17708-3
Synonyms (+-)-[2'',2'',2'',3'',3'',3''-2H6]Marmesin ((+-)-(2-(1-Hydroxy-1-2H3]methyl-[2,2,2-2H3]ethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)
Wiley ID 805003