| SpectraBase Spectrum ID |
8neB8Q6ztJu |
| Name |
(1S,2R,3R)-3-isopropenyl-3-methyl-2-(2-thienyl)cyclobutanecarbaldehyde |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16OS |
| InChI |
InChI=1S/C13H16OS/c1-9(2)13(3)7-10(8-14)12(13)11-5-4-6-15-11/h4-6,8,10,12H,1,7H2,2-3H3/t10-,12+,13+/m1/s1 |
| InChIKey |
JIFKVQDSPHLGAV-WXHSDQCUSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
220.330 g/mol |
| Optical Rotation |
[a]D29 = +92 (c = 1, CH2Cl2) |
| Reported Formula |
C13H16OS |
| SMILES |
[C@]1(C[C@]([C@@]1(c1cccs1)[H])(C(C)=C)C)(C=O)[H] |
| SPLASH |
splash10-01p9-1900000000-1a0993bc7a0a2810b636 |
| Sample Comments |
dr = 85:15, er = 95:5 |
| Source of Spectrum |
ACI-59-SM91-4na |
| Thin-Layer Chromatography |
Rf = 0.34 (P/EtOAc, 9:1) |
| Wiley ID |
1857974 |
