SpectraBase Spectrum ID |
Dg46pQiGerK |
Name |
[(1S,2S)-3-methyl-2,3-diphenyl-cyclobutyl]methanol |
Appearance |
Colorless oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C18H20O |
InChI |
InChI=1S/C18H20O/c1-18(16-10-6-3-7-11-16)12-15(13-19)17(18)14-8-4-2-5-9-14/h2-11,15,17,19H,12-13H2,1H3/t15-,17-,18?/m1/s1 |
InChIKey |
FXJIUGSKLZAJHC-KOFGWKMWSA-N |
Instrument Name |
Thermo Scientific DFS-HRMS |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/anie.202001634 |
Molecular Weight |
252.357 g/mol |
Optical Rotation |
[a]D26 = +54 (c = 1, CH2Cl2) |
Reported Formula |
C18H20O |
SMILES |
OC[C@]1(CC([C@@]1(c1ccccc1)[H])(c1ccccc1)C)[H] |
SPLASH |
splash10-001i-9310000000-4b391c85c211f749b9be |
Sample Comments |
dr = 61:39, er = 92:8 (major), er = 94:6 (minor) |
Source of Spectrum |
ACI-59-SM105-S14ae |
Thin-Layer Chromatography |
Rf = 0.27 (P/Et2O, 1:1) |
Wiley ID |
1857977 |