| SpectraBase Spectrum ID |
KHjIvaZ14gI |
| Name |
(1S,2S,3S)-3-isopropenyl-3-methyl-2-phenyl-cyclobutanecarbaldehyde |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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-RBSFLKMASA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
214.308 g/mol |
| Optical Rotation |
[a]D25 = +76 (c = 0.5, CHCl3) |
| Reported Formula |
C15H18O |
| SMILES |
C1[C@@]([C@]([C@]1(C(C)=C)C)(c1ccccc1)[H])(C=O)[H] |
| SPLASH |
splash10-00lr-9700000000-efabe5edbf7ed2c8386d |
| Sample Comments |
minor, dr = 94:6, er = 94:6 |
| Source of Spectrum |
ACI-59-SM60-3aa-minor |
| Thin-Layer Chromatography |
Rf = 0.41 (P/EtOAc, 9:1) |
| Wiley ID |
1857959 |
