| SpectraBase Spectrum ID |
hcaQiUtIu |
| Name |
(1S,2S,3R)-2-(4-chlorophenyl)-3-isopropenyl-3-methyl-cyclobutanecarbaldehyde |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17ClO |
| InChI |
InChI=1S/C15H17ClO/c1-10(2)15(3)8-12(9-17)14(15)11-4-6-13(16)7-5-11/h4-7,9,12,14H,1,8H2,2-3H3/t12-,14-,15+/m1/s1 |
| InChIKey |
HAONDLHVNCVENA-YUELXQCFSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
248.753 g/mol |
| Optical Rotation |
[a]D29 = +56 (c = 1, CH2Cl2) |
| Reported Formula |
C15H17OCl |
| SMILES |
[C@]1(C[C@]([C@@]1(c1ccc(cc1)Cl)[H])(C(C)=C)C)(C=O)[H] |
| SPLASH |
splash10-00lr-9610000000-77affed6dd75b176e334 |
| Sample Comments |
dr = 95:5, er = 93:7 |
| Source of Spectrum |
ACI-59-SM73-3ha |
| Thin-Layer Chromatography |
Rf = 0.29 (P/EtOAc = 9:1) |
| Wiley ID |
1857969 |
