| SpectraBase Spectrum ID |
9XfVnDRfa8C |
| Name |
[(1S,2R,3R)-3-isopropenyl-3-methyl-2-(o-tolyl)cyclobutyl]methanol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O |
| InChI |
InChI=1S/C16H22O/c1-11(2)16(4)9-13(10-17)15(16)14-8-6-5-7-12(14)3/h5-8,13,15,17H,1,9-10H2,2-4H3/t13-,15+,16+/m1/s1 |
| InChIKey |
FCULFXWPBATNOZ-KBMXLJTQSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
230.351 g/mol |
| Optical Rotation |
[a]D25 = +98 (c = 1, CH2Cl2) |
| Reported Formula |
C16H22O |
| SMILES |
OC[C@]1(C[C@]([C@@]1(c1ccccc1C)[H])(C(C)=C)C)[H] |
| SPLASH |
splash10-001j-0900000000-6453a1eb8f20c2c3baf8 |
| Sample Comments |
dr > 95:5, er = 94:6 |
| Source of Spectrum |
ACI-59-SM72-S14ga |
| Thin-Layer Chromatography |
Rf = 0.36 (P/Et2O, 1:1) |
| Wiley ID |
1857979 |
![[(1S,2R,3R)-3-isopropenyl-3-methyl-2-(o-tolyl)cyclobutyl]methanol](/api/spectrum/9XfVnDRfa8C/structure.png?h=300&w=458 "[(1S,2R,3R)-3-isopropenyl-3-methyl-2-(o-tolyl)cyclobutyl]methanol")
