| SpectraBase Spectrum ID |
4NzBDBwxQvX |
| Name |
[(3R,4S)-3-methyl-4-prop-1-enyl-octyl]benzene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H28 |
| InChI |
InChI=1S/C18H28/c1-4-6-13-18(10-5-2)16(3)14-15-17-11-8-7-9-12-17/h5,7-12,16,18H,4,6,13-15H2,1-3H3/t16-,18+/m1/s1 |
| InChIKey |
SXARQEYGGFIOPO-AEFFLSMTSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201811330 |
| Molecular Weight |
244.422 g/mol |
| Optical Rotation |
[a]D20 = +14.3 (c = 1.0, CHCl3) |
| Reported Formula |
C18H28 |
| SMILES |
c1(CC[C@]([C@@](C=CC)(CCCC)[H])(C)[H])ccccc1 |
| SPLASH |
splash10-00kf-9500000000-2e685dfd266af7fdc47e |
| Sample Comments |
dr = 10:90, 99% ee, 99% ee |
| Source of Spectrum |
ACI-58-SM24-3R,4S-6d |
| Wiley ID |
1840556 |
![[(3R,4S)-3-methyl-4-prop-1-enyl-octyl]benzene](/api/spectrum/4NzBDBwxQvX/structure.png?h=300&w=458 "[(3R,4S)-3-methyl-4-prop-1-enyl-octyl]benzene")
