| SpectraBase Spectrum ID |
FV2vAQUqjfE |
| Name |
Ethyl (1R,6R)-6-isopropyl-3-methyl-2-oxocyclohex-3-ene-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-5-16-13(15)11-10(8(2)3)7-6-9(4)12(11)14/h6,8,10-11H,5,7H2,1-4H3/t10-,11-/m1/s1 |
| InChIKey |
LENQOAADAWZMFA-GHMZBOCLSA-N |
| Instrument Name |
Agilent 6890 and Finnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.14.222 |
| Molecular Weight |
224.300 g/mol |
| Optical Rotation |
[a]D21 = -6.2 (c = 1.0, CHCl3) |
| Reported Formula |
C13H20O3 |
| SMILES |
C1=C(C([C@@]([C@](C1)(C(C)C)[H])(C(=O)OCC)[H])=O)C |
| SPLASH |
splash10-0a59-7900000000-07a925abf6876edc1b4c |
| Source of Spectrum |
BJO-14-SM2-10 |
| Thin-Layer Chromatography |
Rf = 0.34 (petroleum ether/EtOAc, 5:1) |
| Wiley ID |
1845717 |
