| SpectraBase Spectrum ID |
8jZNda5u8qB |
| Name |
(1S,2S,3R)-3-isopropenyl-3-methyl-2-(p-tolyl)cyclobutanecarbaldehyde |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O |
| InChI |
InChI=1S/C16H20O/c1-11(2)16(4)9-14(10-17)15(16)13-7-5-12(3)6-8-13/h5-8,10,14-15H,1,9H2,2-4H3/t14-,15-,16+/m1/s1 |
| InChIKey |
FWIVBDMLHDSJGU-OAGGEKHMSA-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]D30 = +72 (c = 0.5, CH2Cl3) |
| Reported Formula |
C16H20O |
| SMILES |
[C@]1([C@@]([C@](C1)(C=O)[H])(c1ccc(cc1)C)[H])(C(C)=C)C |
| SPLASH |
splash10-001i-1900000000-129e95a17af34996c008 |
| Sample Comments |
dr = 92:8, er = 94:6 |
| Source of Spectrum |
ACI-59-SM67-3ea |
| Thin-Layer Chromatography |
Rf = 0.42 (P/EtOAc, 9:1) |
| Wiley ID |
1857966 |
