| SpectraBase Spectrum ID |
1FCr8RnjXqd |
| Name |
18-O-(carboxyl)-Pentafluorobenzyl abscisate |
| Alternate Name(s) |
Pentafluorobenzyl 5-[2',2',6'-trimethyl-4'-oxo-cyclohex-5'-enyl)-3-methylpent-2-enoate-(18-O-carboxyl) |
| Comments |
Original formula: C22H21F5O3[18O] |
| 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-/i29+2 |
| InChIKey |
VYTRRGGAYUXKBB-KIGBQTSWSA-N |
| Molecular Weight |
446.398 g/mol |
| SMILES |
OC1(\C=C\C(=C/C(OCc2c(c(F)c(c(c2F)F)F)F)=[18O])C)C(=CC(CC1(C)C)=O)C |
| SPLASH |
splash10-0a4i-0930000000-f501818424e69e3a2cb2 |
| Source of Spectrum |
O-34-614-0 |
| Wiley ID |
763387 |
