| SpectraBase Spectrum ID |
EPWG9VWivCZ |
| Name |
(R)-5-Methyl-4-(3-oxocyclopent-1-en-1-yl)hexanal |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-9(2)12(4-3-7-13)10-5-6-11(14)8-10/h7-9,12H,3-6H2,1-2H3/t12-/m1/s1 |
| InChIKey |
RTJCZPZUZZOIIG-GFCCVEGCSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c02627 |
| Molecular Weight |
194.274 g/mol |
| Optical Rotation |
[a]D25 = -6.1 (c = 1.00, CDCl3) |
| Reported Formula |
C12H18O2 |
| SMILES |
C1(C=C(CC1)[C@](CCC=O)(C(C)C)[H])=O |
| SPLASH |
splash10-052b-9900000000-e2d68dd4c42504c01424 |
| Sample Comments |
73% ee |
| Source of Spectrum |
JOC-87-648-5 |
| Wiley ID |
1884198 |
