| SpectraBase Spectrum ID |
Asg1LlOUat6 |
| Name |
(1S,2S,3R)-3-isopropenyl-3-methyl-2-[4-(trifluoromethyl)phenyl]cyclobutanecarbaldehyde |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17F3O |
| InChI |
InChI=1S/C16H17F3O/c1-10(2)15(3)8-12(9-20)14(15)11-4-6-13(7-5-11)16(17,18)19/h4-7,9,12,14H,1,8H2,2-3H3/t12-,14-,15+/m1/s1 |
| InChIKey |
UGVCCWNKWYLOON-YUELXQCFSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
282.306 g/mol |
| Optical Rotation |
[a]D29 = +38 (c = 1, CH2Cl2) |
| Reported Formula |
C16H17F3O |
| SMILES |
[C@]1(C[C@]([C@@]1(c1ccc(cc1)C(F)(F)F)[H])(C(C)=C)C)(C=O)[H] |
| SPLASH |
splash10-00lr-9020000000-11815bfbba2dcaee4fdb |
| Sample Comments |
dr = 95:5, er = 88:12 |
| Source of Spectrum |
ACI-59-SM76-3ia |
| Thin-Layer Chromatography |
Rf = 0.26 (P/EtOAc, 9:1) |
| Wiley ID |
1857970 |
![(1S,2S,3R)-3-isopropenyl-3-methyl-2-[4-(trifluoromethyl)phenyl]cyclobutanecarbaldehyde](/api/spectrum/Asg1LlOUat6/structure.png?h=300&w=458 "(1S,2S,3R)-3-isopropenyl-3-methyl-2-[4-(trifluoromethyl)phenyl]cyclobutanecarbaldehyde")
