| SpectraBase Spectrum ID |
1QxKZJ5W1Q |
| Name |
1-Methyl-3-(3'-methoxy-4'-hydroxyphenyl)propyl-caffeate |
| Alternate Name(s) |
3-(4-hydroxy-3-methoxyphenyl)-1-methylpropyl (2E)-3-(3,4-dihydroxyphenyl)-2-propenoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22O6 |
| InChI |
InChI=1S/C20H22O6/c1-13(3-4-15-6-9-17(22)19(12-15)25-2)26-20(24)10-7-14-5-8-16(21)18(23)11-14/h5-13,21-23H,3-4H2,1-2H3/b10-7+ |
| InChIKey |
CUSRBSJOKOTEAN-JXMROGBWSA-N |
| Molecular Weight |
358.390 g/mol |
| SMILES |
Oc1cc(ccc1O)\C=C\C(=O)OC(CCc1cc(OC)c(cc1)O)C |
| SPLASH |
splash10-0a4i-9500000000-35f880a111852cae688c |
| Source of Spectrum |
X2-56-951-2 |
| Wiley ID |
1604937 |
