| SpectraBase Spectrum ID |
HcBIO9jBvi9 |
| Name |
2-((1R,2S)-2-(benzoyloxy)cyclohexyl)ethyl benzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.167459249 u |
| Formula |
C22H24O4 |
| InChI |
InChI=1S/C22H24O4/c23-21(18-10-3-1-4-11-18)25-16-15-17-9-7-8-14-20(17)26-22(24)19-12-5-2-6-13-19/h1-6,10-13,17,20H,7-9,14-16H2/t17-,20+/m1/s1 |
| InChIKey |
MXKNCIKWIMJIKU-XLIONFOSSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
352.430 g/mol |
| Optical Rotation |
[a]D20 = +21.2 (c = 0.8, CH2Cl2) |
| Quality |
67 |
| Reported Formula |
C22H24O4 |
| SMILES |
C1(C(=O)O[C@@]2([C@@](CCOC(C3=CC=CC=C3)=O)(CCCC2)[H])[H])=CC=CC=C1 |
| SPLASH |
splash10-0a4i-3900000000-7f2cd6155ef9654eb786 |
| Source of Spectrum |
QE-24-SM25-IVw (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900280 |
