| SpectraBase Spectrum ID |
2E6QCJ928W |
| Name |
(S)-1-(But-3-en-2-yl)-2,3-dimethoxy-4-methylbenzene |
| Appearance |
Colorless oil |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C13H18O2/c1-6-9(2)11-8-7-10(3)12(14-4)13(11)15-5/h6-9H,1H2,2-5H3/t9-/m0/s1 |
| InChIKey |
MFXDJHHZYOBSSE-VIFPVBQESA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202101863 |
| Molecular Weight |
206.285 g/mol |
| Optical Rotation |
[a]lambda20 = -120.4 (334 nm), -89.6 (365 nm), -65.8 (405 nm), -30.3 (546 nm), -25.4 (589 nm) (c = 1.66 g/100 ml, CHCl3) |
| Quality |
381 |
| SMILES |
C[C@@](C=C)(C1=C(C(=C(C=C1)C)OC)OC)[H] |
| SPLASH |
splash10-054o-2930000000-dc709e84eee00c582591 |
| Sample Comments |
84% ee |
| Source of Spectrum |
QE-27-SM24-8b (DOI: 10.1002/chem.202101863) |
| Thin-Layer Chromatography |
0.45 (CyHex/EtOAc, 20:1) |
| Wiley ID |
1902167 |
