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4-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzyl)butyric acid methyl ester
SpectraBase Compound ID LuUVdaFltT0
InChI InChI=1S/C22H26O7/c1-24-19-11-15(12-20(25-2)21(19)26-3)9-16(22(23)27-4)7-5-14-6-8-17-18(10-14)29-13-28-17/h6,8,10-12,16H,5,7,9,13H2,1-4H3
InChIKey SOYOYSXZULWDQT-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MuaR4MyFJD
Name 4-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzyl)butyric acid methyl ester
Alternate Name(s) 4-(1,3-benzodioxol-5-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid methyl ester Methyl 4-(1,3-benzodioxol-5-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]butanoate
CAS Registry Number 119046-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-24-19-11-15(12-20(25-2)21(19)26-3)9-16(22(23)27-4)7-5-14-6-8-17-18(10-14)29-13-28-17/h6,8,10-12,16H,5,7,9,13H2,1-4H3
InChIKey SOYOYSXZULWDQT-UHFFFAOYSA-N
Molecular Weight 402.443 g/mol
SMILES c1(c(cc(cc1OC)CC(C(=O)OC)CCc1cc2OCOc2cc1)OC)OC
SPLASH splash10-0f89-0900300000-a73f6cffcbe017365cb3
Source of Spectrum B-41-918-60
Wiley ID 1370358