| SpectraBase Spectrum ID |
1oI76geHPWe |
| Name |
(1S,2R)-2-(2-hydroxyethyl)cyclohexyl 4-fluorobenzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.131822632 u |
| Formula |
C15H19FO3 |
| InChI |
InChI=1S/C15H19FO3/c16-13-7-5-12(6-8-13)15(18)19-14-4-2-1-3-11(14)9-10-17/h5-8,11,14,17H,1-4,9-10H2/t11-,14+/m1/s1 |
| InChIKey |
PEUJQDFUBFPBJI-RISCZKNCSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
266.312 g/mol |
| Optical Rotation |
[a]D20 = +57.2 (c = 1.0, CH2Cl2) |
| Quality |
56 |
| Reported Formula |
C15H19FO3 |
| SMILES |
OCC[C@@]1([C@](CCCC1)(OC(C1=CC=C(C=C1)F)=O)[H])[H] |
| SPLASH |
splash10-00di-6900000000-7a9b8e9a0777b72453d1 |
| Source of Spectrum |
QE-24-SM19-5b (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900260 |
