| SpectraBase Spectrum ID |
AtKwv1x78rS |
| Name |
ethyl (R)-1-allyl-2-oxocyclohexane-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.125594437 u |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-3-8-12(11(14)15-4-2)9-6-5-7-10(12)13/h3H,1,4-9H2,2H3/t12-/m0/s1 |
| InChIKey |
LVGFAEBVHISFKH-LBPRGKRZSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601545 |
| Molecular Weight |
210.273 g/mol |
| Optical Rotation |
[a]D = +111.2 (c = 0.25, CH2Cl2) |
| Quality |
167 |
| Reported Formula |
C12H18O3 |
| SMILES |
C1C([C@@](CCC1)(CC=C)C(OCC)=O)=O |
| SPLASH |
splash10-014r-9800000000-ee78c69bc1cfeacf2c19 |
| Sample Comments |
er = 94.5:5.5 |
| Source of Spectrum |
ACI-55-SM15-2l (DOI: 10.1002/anie.201601545) |
| Wiley ID |
1897452 |
