| SpectraBase Spectrum ID |
2sAlR90LQhH |
| Name |
3-Carbethoxy-4-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-3-butenoic acid |
| Alternate Name(s) |
(3Z)-4-(4-chloro-2,5-dimethoxyphenyl)-3-(ethoxycarbonyl)-3-pentenoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19ClO6 |
| InChI |
InChI=1S/C16H19ClO6/c1-5-23-16(20)11(7-15(18)19)9(2)10-6-14(22-4)12(17)8-13(10)21-3/h6,8H,5,7H2,1-4H3,(H,18,19)/b11-9- |
| InChIKey |
LTHMMAPAFCZKQH-LUAWRHEFSA-N |
| Molecular Weight |
342.775 g/mol |
| SMILES |
OC(C\C(=C\(c1c(cc(c(c1)OC)Cl)OC)C)C(=O)OCC)=O |
| SPLASH |
splash10-0006-0009000000-3b05c07c2f4205916e98 |
| Source of Spectrum |
J-58-7909-3 |
| Wiley ID |
1336323 |
