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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 65qftrLSTo9
Name (+/-)-7',8'-dihydro-trans-dehydrodicoumarate dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/cbdv.201800134
Molecular Weight 356.374 g/mol
SMILES Oc1ccc(cc1)[C@]1([C@@](c2c(O1)ccc(c2)CCC(=O)OC)(C(OC)=O)[H])[H]
SPLASH splash10-00di-3396000000-4b9b2bb1582e63373f47
Source of Spectrum CBD-15-SM14-6
Synonyms Methyl (2R,3R)-2-(4-hydroxyphenyl)-5-(3-methoxy-3-oxopropyl)-2,3-dihydrobenzofuran-3-carboxylate
Wiley ID 1812599