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(+-)-[8,2",2",2",3",3",3''-2H7]Marmesin ((+-)-(2-(1-Hydroxy-1-2H3]methyl-[2,2,2-2H3]ethyl)-[9-2H]-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)

View entire compound with spectra: 1 MS (GC)

(+-)-[8,2",2",2",3",3",3''-2H7]Marmesin ((+-)-(2-(1-Hydroxy-1-2H3]methyl-[2,2,2-2H3]ethyl)-[9-2H]-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)
SpectraBase Compound ID FxU94o433pi
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/i1D3,2D3,7D
InChIKey FWYSBEAFFPBAQU-CFHSAGKISA-N
Mol Weight 253.3 g/mol
Molecular Formula C14H7D7O4
Exact Mass 253.133146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22eorzO8CYn
Name (+-)-[8,2",2",2",3",3",3''-2H7]Marmesin ((+-)-(2-(1-Hydroxy-1-2H3]methyl-[2,2,2-2H3]ethyl)-[9-2H]-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7D7O4
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/i1D3,2D3,7D
InChIKey FWYSBEAFFPBAQU-CFHSAGKISA-N
Molecular Weight 253.305 g/mol
SMILES OC([C@]1(Oc2c(c3OC(=O)C=Cc3cc2C1)[D])[H])(C([D])([D])[D])C([D])([D])[D]
SPLASH splash10-000i-1920000000-27a7031bf4cc927dd8e9
Source of Spectrum F-53-17708-3
Synonyms (+-)-[8,2'',2'',2'',3'',3'',3''-2H7]Marmesin ((+-)-(2-(1-Hydroxy-1-2H3]methyl-[2,2,2-2H3]ethyl)-[9-2H]-2,3-dihydro-7H-furo[3,2-g]chromen-7-one)
Wiley ID 805002