| SpectraBase Spectrum ID |
LHW7Ew0Ljt8 |
| Name |
(R,E)-(3-methylpenta-1,4-dien-1-yl)benzene |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
158.109550451 u |
| Formula |
C12H14 |
| GC Column |
Macherey-Nagel Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C12H14/c1-3-11(2)9-10-12-7-5-4-6-8-12/h3-11H,1H2,2H3/b10-9+/t11-/m1/s1 |
| InChIKey |
GFCADLFHRDMBEO-PBQZMEPESA-N |
| Instrument Name |
Agilent 5973 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601283 |
| Molecular Weight |
158.244 g/mol |
| Optical Rotation |
[a]D20 = -37.0 (c = 0.8 g/100 ml, CHCl3) |
| Quality |
351 |
| SMILES |
C[C@@](\C=C\C1=CC=CC=C1)(C=C)[H] |
| SPLASH |
splash10-002f-1900000000-da04da4af46a264e7488 |
| Sample Comments |
70% ee |
| Source of Spectrum |
QE-22-SM51-51-1 (DOI: 10.1002/chem.201601283) |
| Thin-Layer Chromatography |
0.7 (CyHex) |
| Wiley ID |
1903374 |
