| SpectraBase Spectrum ID |
CsXVd5J9g6o |
| Name |
(1S,2R,3R)-3-isopropenyl-3-methyl-2-(o-tolyl)cyclobutanecarbaldehyde |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O |
| InChI |
InChI=1S/C16H20O/c1-11(2)16(4)9-13(10-17)15(16)14-8-6-5-7-12(14)3/h5-8,10,13,15H,1,9H2,2-4H3/t13-,15+,16+/m1/s1 |
| InChIKey |
IHKKBRKAFXHCOZ-KBMXLJTQSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
228.335 g/mol |
| Optical Rotation |
[a]D25 = +142 (c = 1, CH2Cl2) |
| Reported Formula |
C16H20O |
| SMILES |
[C@]1(C[C@]([C@@]1(c1ccccc1C)[H])(C(C)=C)C)(C=O)[H] |
| SPLASH |
splash10-001i-4900000000-ec4f9d8716525d5a5a97 |
| Sample Comments |
dr > 95:5, er = 94:6 |
| Source of Spectrum |
ACI-59-SM71-3ga |
| Thin-Layer Chromatography |
Rf = 0.44 (P/EtOAc, 9:1) |
| Wiley ID |
1857968 |
