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trans-2-(2",5"-Dioxo-4"-methoxybenzyl)-3-(3',4'-dimethoxybenzyl)butyrolactone
SpectraBase Compound ID AlqOcc5ARmB
InChI InChI=1S/C21H22O7/c1-25-18-5-4-12(7-20(18)27-3)6-14-11-28-21(24)15(14)8-13-9-17(23)19(26-2)10-16(13)22/h4-5,7,9-10,14-15H,6,8,11H2,1-3H3/t14-,15+/m0/s1
InChIKey XDDVLOBFVBAPQI-LSDHHAIUSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bq0K5LQR5b1
Name trans-2-(2",5"-Dioxo-4"-methoxybenzyl)-3-(3',4'-dimethoxybenzyl)butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-25-18-5-4-12(7-20(18)27-3)6-14-11-28-21(24)15(14)8-13-9-17(23)19(26-2)10-16(13)22/h4-5,7,9-10,14-15H,6,8,11H2,1-3H3/t14-,15+/m0/s1
InChIKey XDDVLOBFVBAPQI-LSDHHAIUSA-N
Molecular Weight 386.400 g/mol
SMILES C=1(C(C=C(C(C1)=O)OC)=O)C[C@]1(C(OC[C@@]1(Cc1cc(OC)c(cc1)OC)[H])=O)[H]
SPLASH splash10-0udr-0954000000-1916ab18fe87df2483ce
Source of Spectrum F-52-1333-45
Synonyms trans-2-(2'',5''-Dioxo-4''-methoxybenzyl)-3-(3',4'-dimethoxybenzyl)butyrolactone
Wiley ID 794853