SpectraBase Spectrum ID |
KvVf7Ebc4d9 |
Name |
3-Carbethoxy-4-(2,5-dimethoxyphenyl)-4-methyl-3-butenoic acid |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
308.125988358 u |
Formula |
C16H20O6 |
InChI |
InChI=1S/C16H20O6/c1-5-22-16(19)13(9-15(17)18)10(2)12-8-11(20-3)6-7-14(12)21-4/h6-8H,5,9H2,1-4H3,(H,17,18)/b13-10- |
InChIKey |
NXGFILRYKFFRSF-RAXLEYEMSA-N |
Molecular Weight |
308.330 g/mol |
SMILES |
C=1(\C(=C/(C(=O)OCC)CC(=O)O)C)C(=CC=C(C1)OC)OC |