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(+/-)-7',8'-dihydro-trans-dehydrodicoumarate dimethyl ester
SpectraBase Compound ID J70caHWvY2Q
InChI InChI=1S/C20H20O6/c1-24-17(22)10-4-12-3-9-16-15(11-12)18(20(23)25-2)19(26-16)13-5-7-14(21)8-6-13/h3,5-9,11,18-19,21H,4,10H2,1-2H3/t18-,19+/m1/s1
InChIKey BJFBGTPRPAKYGH-MOPGFXCFSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9W1NmZs2GUV
Name (+/-)-7',8'-dihydro-trans-dehydrodicoumarate dimethyl ester
Appearance White powder
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Formula C20H20O6
InChI InChI=1S/C20H20O6/c1-24-17(22)10-4-12-3-9-16-15(11-12)18(20(23)25-2)19(26-16)13-5-7-14(21)8-6-13/h3,5-9,11,18-19,21H,4,10H2,1-2H3/t18-,19+/m1/s1
InChIKey BJFBGTPRPAKYGH-MOPGFXCFSA-N
Instrument Name Shimadzu-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/rcm.8990
Molecular Weight 356.374 g/mol
SMILES Oc1ccc([C@@]2(Oc3ccc(cc3[C@]2(C(OC)=O)[H])CCC(OC)=O)[H])cc1
SPLASH splash10-00di-2395000000-d358e7d17317edfc8b5f
Source of Spectrum RCM-35-SM24-7
Wiley ID 1856724