| SpectraBase Spectrum ID |
IvelrfVWSGK |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl furan-2-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c14-8-7-10-4-1-2-5-11(10)17-13(15)12-6-3-9-16-12/h3,6,8-11H,1-2,4-5,7H2/t10-,11+/m1/s1 |
| InChIKey |
VAFGDJFXFZAHLB-MNOVXSKESA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
236.267 g/mol |
| Optical Rotation |
[a]D20 = +42.8 (c = 1.0, CH2Cl2) |
| Quality |
133 |
| Reported Formula |
C13H16O4 |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C=1OC=CC1)=O)[H] |
| SPLASH |
splash10-0002-9000000000-9f3e1364f0a532bdd86e |
| Sample Comments |
92% ee |
| Source of Spectrum |
QE-24-SM14-4m (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900248 |
