| SpectraBase Spectrum ID |
KO8Av7VJtGd |
| Name |
(S)-4-Methyl-1-(but-1-ene-3-yl)benzene |
| Appearance |
Colourless oil |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
146.109550451 u |
| Formula |
C11H14 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C11H14/c1-4-10(3)11-7-5-9(2)6-8-11/h4-8,10H,1H2,2-3H3/t10-/m0/s1 |
| InChIKey |
IWCCUGRFMOPUST-JTQLQIEISA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202101863 |
| Molecular Weight |
146.233 g/mol |
| Optical Rotation |
[a]lambda20 = 49.5 (365 nm), 25.5 (436 nm), 12.7 (546 nm), 10.5 (579 nm), 10.1 (589 nm) (c = 0.73 g/100 ml, CHCl3) |
| Quality |
246 |
| SMILES |
CC1=CC=C(C=C1)[C@](C=C)(C)[H] |
| SPLASH |
splash10-001i-2900000000-c36940a31ad82bec3804 |
| Sample Comments |
98-99% ee |
| Source of Spectrum |
QE-27-SM14-8a (DOI: 10.1002/chem.202101863) |
| Thin-Layer Chromatography |
0.65 (n-pentane) |
| Wiley ID |
1902166 |
