| SpectraBase Spectrum ID |
DayYAE5H6wM |
| Name |
Pentafluorobenzyl abscisate |
| Alternate Name(s) |
2,3,4,5,6-pentafluorobenzyl (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoate
Pentafluorobenzyl 5-[2',2',6'-trimethyl-4'-oxo-cyclohex-5'-enyl)-3-methylpent-2-enoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21F5O4 |
| InChI |
InChI=1S/C22H21F5O4/c1-11(5-6-22(30)12(2)8-13(28)9-21(22,3)4)7-15(29)31-10-14-16(23)18(25)20(27)19(26)17(14)24/h5-8,30H,9-10H2,1-4H3/b6-5+,11-7+ |
| InChIKey |
VYTRRGGAYUXKBB-LCAICKDSSA-N |
| Molecular Weight |
444.398 g/mol |
| SMILES |
OC1(\C=C\C(=C\C(OCc2c(c(F)c(c(c2F)F)F)F)=O)C)C(=CC(CC1(C)C)=O)C |
| SPLASH |
splash10-03di-0190000000-179471db0f4f2921666f |
| Source of Spectrum |
O-34-613-0 |
| Wiley ID |
763389 |
