| SpectraBase Spectrum ID |
ImjWYCkNf3O |
| Name |
(1S,2S,3R)-3-Methyl-2-phenyl-3-(prop-1-en-2-yl)cyclobutane-1-carbaldehyde |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.135765199 u |
| Formula |
C15H18O |
| InChI |
InChI=1S/C15H18O/c1-11(2)15(3)9-13(10-16)14(15)12-7-5-4-6-8-12/h4-8,10,13-14H,1,9H2,2-3H3/t13-,14-,15+/m1/s1 |
| InChIKey |
OFMCOTMSTBDIRX-KFWWJZLASA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710441 |
| Molecular Weight |
214.308 g/mol |
| Optical Rotation |
[a]D25 = +76.0 (c = 0.5, CHCl3) |
| Quality |
196 |
| Reported Formula |
C15H18O |
| SMILES |
[C@]1(C[C@]([C@@]1(C1=CC=CC=C1)[H])(C(=C)C)C)(C=O)[H] |
| SPLASH |
splash10-001i-9400000000-c26e3ea92d35d4ce6c19 |
| Sample Comments |
Major, 88% ee, dr = 94:6 |
| Source of Spectrum |
ACI-57-SM19-12a (DOI: 10.1002/anie.201710441) |
| Thin-Layer Chromatography |
0.39 (Pentane/EtOAc, 9:1) |
| Wiley ID |
1891105 |
