| SpectraBase Spectrum ID |
6htVz5Mlcfj |
| Name |
(R)-3-(benzo[d][1,3]dioxol-5-yl)-2-methyl-1-(4-(trifluoromethyl)phenyl)propan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15F3O3 |
| InChI |
InChI=1S/C18H15F3O3/c1-11(8-12-2-7-15-16(9-12)24-10-23-15)17(22)13-3-5-14(6-4-13)18(19,20)21/h2-7,9,11H,8,10H2,1H3/t11-/m1/s1 |
| InChIKey |
JDXQOTRGPKDCAK-LLVKDONJSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
336.310 g/mol |
| Optical Rotation |
[a]D20 = +48.8 (c = 0.84, CHCl3) |
| Quality |
40 |
| Reported Formula |
C18H15F3O3 |
| SMILES |
C1=CC(=CC=2OCOC12)C[C@](C(=O)C1=CC=C(C=C1)C(F)(F)F)(C)[H] |
| SPLASH |
splash10-000i-0900000000-2fd702c31743ba6669f7 |
| Sample Comments |
94% ee |
| Source of Spectrum |
ACI-62-SM56-(R)-4f (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908209 |
![(R)-3-(benzo[d][1,3]dioxol-5-yl)-2-methyl-1-(4-(trifluoromethyl)phenyl)propan-1-one](/api/spectrum/6htVz5Mlcfj/structure.png?h=300&w=458 "(R)-3-(benzo[d][1,3]dioxol-5-yl)-2-methyl-1-(4-(trifluoromethyl)phenyl)propan-1-one")
