| SpectraBase Spectrum ID |
AolcHL81JeE |
| Name |
(E)-Methyl 2-(3,4,5-Trimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-4-oxo-2-butenoate |
| Alternate Name(s) |
methyl (2E)-4-(1,3-benzodioxol-5-yl)-4-oxo-2-(3,4,5-trimethoxyphenyl)-2-butenoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20O8 |
| InChI |
InChI=1S/C21H20O8/c1-24-18-8-13(9-19(25-2)20(18)26-3)14(21(23)27-4)10-15(22)12-5-6-16-17(7-12)29-11-28-16/h5-10H,11H2,1-4H3/b14-10+ |
| InChIKey |
UHHUGWQYZTUENV-GXDHUFHOSA-N |
| Molecular Weight |
400.383 g/mol |
| SMILES |
C(\C=C/(c1cc(OC)c(c(c1)OC)OC)C(=O)OC)(c1cc2OCOc2cc1)=O |
| SPLASH |
splash10-0gb9-0009600000-86d3b2b8c434a337999e |
| Source of Spectrum |
F-50-9298-9 |
| Wiley ID |
1369338 |
