| SpectraBase Spectrum ID |
EZxxDhs9HRk |
| Name |
Tetrabenazine-enol trifluoroacetate |
| Alternate Name(s) |
(11bS)-3-isobutyl-9,10-dimethoxy-1,6,7,11b-tetrahydro-4H-pyrido[2,1-a]isoquinolin-2-yl trifluoroacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26F3NO4 |
| InChI |
InChI=1S/C21H26F3NO4/c1-12(2)7-14-11-25-6-5-13-8-18(27-3)19(28-4)9-15(13)16(25)10-17(14)29-20(26)21(22,23)24/h8-9,12,16H,5-7,10-11H2,1-4H3/t16-/m0/s1 |
| InChIKey |
QHIPTKUXGLXPGV-INIZCTEOSA-N |
| Molecular Weight |
413.437 g/mol |
| SMILES |
[C@@]12(N(CCc3cc(c(cc23)OC)OC)CC(=C(C1)OC(C(F)(F)F)=O)CC(C)C)[H] |
| SPLASH |
splash10-01vo-0829400000-fed6b7b5b09f7b6a6330 |
| Source of Spectrum |
JC-493-394-1 |
| Wiley ID |
1374986 |
