| SpectraBase Spectrum ID |
7IgPZn2GPYA |
| Name |
(2R)-4-(3,4-dichlorophenyl)-1,1,1-trifluoro-2-methyl-but-3-en-2-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.998254798 u |
| Formula |
C11H9Cl2F3O |
| InChI |
InChI=1S/C11H9Cl2F3O/c1-10(17,11(14,15)16)5-4-7-2-3-8(12)9(13)6-7/h2-6,17H,1H3/t10-/m1/s1 |
| InChIKey |
WVFWQKQJDMCCCR-SNVBAGLBSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202208861 |
| Molecular Weight |
285.093 g/mol |
| Optical Rotation |
[a]D20 = +33.7 (c = 0.42, CHCl3) |
| Quality |
332 |
| Reported Formula |
C11H9OF3(35)Cl2 |
| SMILES |
O[C@](C=CC1=CC=C(C(=C1)Cl)Cl)(C(F)(F)F)C |
| SPLASH |
splash10-014i-1290000000-6c1a3faa5f94e364d1a2 |
| Sample Comments |
91% ee |
| Source of Spectrum |
ACI-61-SM36-(R)-15 (DOI: 10.1002/anie.202208861) |
| Wiley ID |
1899436 |
