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trans-3-(3,4,5-Trimethoxybenzyl)-4-(3,4-methylenedioxybenzoyl).gamma.-butyrolactone
SpectraBase Compound ID 8c5KUkAQeYW
InChI InChI=1S/C22H22O8/c1-25-17-7-12(8-18(26-2)22(17)27-3)6-14-10-19(23)30-21(14)20(24)13-4-5-15-16(9-13)29-11-28-15/h4-5,7-9,14,21H,6,10-11H2,1-3H3/t14-,21-/m0/s1
InChIKey KKOHMUQBLOPLHH-QKKBWIMNSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 722cR8zwfX0
Name trans-3-(3,4,5-Trimethoxybenzyl)-4-(3,4-methylenedioxybenzoyl).gamma.-butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-25-17-7-12(8-18(26-2)22(17)27-3)6-14-10-19(23)30-21(14)20(24)13-4-5-15-16(9-13)29-11-28-15/h4-5,7-9,14,21H,6,10-11H2,1-3H3/t14-,21-/m0/s1
InChIKey KKOHMUQBLOPLHH-QKKBWIMNSA-N
Molecular Weight 414.410 g/mol
SMILES [C@@]1(C(c2cc3OCOc3cc2)=O)(OC(=O)C[C@@]1(Cc1cc(OC)c(c(c1)OC)OC)[H])[H]
SPLASH splash10-0r00-0590700000-3544ea7f1bda3385c8f1
Source of Spectrum PS-0-2751-8
Synonyms (4S,5S)-5-(2H-1,3-benzodioxol-5-ylcarbonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Wiley ID 786843