| SpectraBase Spectrum ID |
DWuJ8qMGSsb |
| Name |
(S,E)-6-(2,3-Dimethoxy-4-methylphenyl)-2-methylhept-2-en-1-yl acetate |
| Appearance |
Yellow oil |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.198759378 u |
| Formula |
C19H28O4 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C19H28O4/c1-13(12-23-16(4)20)8-7-9-14(2)17-11-10-15(3)18(21-5)19(17)22-6/h8,10-11,14H,7,9,12H2,1-6H3/b13-8+/t14-/m0/s1 |
| InChIKey |
LNJKXMOJGMJXSC-CZAWJFPGSA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202101863 |
| Molecular Weight |
320.429 g/mol |
| Optical Rotation |
[a]lambda20 = -0.4 (589 nm) (c = 0.98 g/100 ml, CHCl3) |
| Quality |
177 |
| SMILES |
COC=1C(=C(C=CC1C)[C@](CC\C=C\(COC(C)=O)C)(C)[H])OC |
| SPLASH |
splash10-01t9-1960000000-40dd88388fea8c1bc450 |
| Source of Spectrum |
QE-27-SM25-7b (DOI: 10.1002/chem.202101863) |
| Thin-Layer Chromatography |
0.34 (CyHex/EtOAc, 10:1) |
| Wiley ID |
1902165 |
