| SpectraBase Spectrum ID |
DFDqWBa5zTm |
| Name |
4-(but-3-en-2-yl)-1,2-dimethoxybenzene |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| GC Column |
Macherey-Nagel Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C12H16O2/c1-5-9(2)10-6-7-11(13-3)12(8-10)14-4/h5-9H,1H2,2-4H3 |
| InChIKey |
QRJJEFHVEKIQAK-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5973 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601283 |
| Molecular Weight |
192.258 g/mol |
| Optical Rotation |
[a]D20 = -11.1 (c = 0.8 g/100 ml, CHCl3) |
| Quality |
366 |
| SMILES |
CC(C=C)C1=CC(=C(C=C1)OC)OC |
| SPLASH |
splash10-002f-1900000000-7d0a264353157c74ad8f |
| Sample Comments |
91% ee |
| Source of Spectrum |
QE-22-SM33-33-1 (DOI: 10.1002/chem.201601283) |
| Thin-Layer Chromatography |
0.7 (CyHex/EtOAc, 2:1) |
| Wiley ID |
1903358 |
