| SpectraBase Spectrum ID |
8cj8f1UMxbp |
| Name |
3-[(1S)-4-(4-methoxyphenyl)-1-methyl-butyl]-2-methyl-cyclohex-2-en-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H26O2 |
| InChI |
InChI=1S/C19H26O2/c1-14(18-8-5-9-19(20)15(18)2)6-4-7-16-10-12-17(21-3)13-11-16/h10-14H,4-9H2,1-3H3/t14-/m0/s1 |
| InChIKey |
DDRROIUVOTVMCC-AWEZNQCLSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202002297 |
| Molecular Weight |
286.415 g/mol |
| Optical Rotation |
[a]D20 = -10.1 (c = 0.7, CHCl3) |
| Reported Formula |
C19H26O2 |
| SMILES |
c1cc(ccc1OC)CCC[C@@](C=1CCCC(C1C)=O)(C)[H] |
| SPLASH |
splash10-00dj-0900000000-29ef861d3623503afdfc |
| Sample Comments |
90% ee |
| Source of Spectrum |
QE-76-SM27-(S)-3i |
| Wiley ID |
1843545 |
![3-[(1S)-4-(4-methoxyphenyl)-1-methyl-butyl]-2-methyl-cyclohex-2-en-1-one](/api/spectrum/8cj8f1UMxbp/structure.png?h=300&w=458 "3-[(1S)-4-(4-methoxyphenyl)-1-methyl-butyl]-2-methyl-cyclohex-2-en-1-one")
