| SpectraBase Spectrum ID |
H7WCTZF4EGt |
| Name |
(S)-4-(But-3-en-2-yl)-2-methoxy-1-methylbenzene |
| Appearance |
Slightly yellow oil |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.120115134 u |
| Formula |
C12H16O |
| GC Oven Program |
Oven temp 300 oC |
| InChI |
InChI=1S/C12H16O/c1-5-9(2)11-7-6-10(3)12(8-11)13-4/h5-9H,1H2,2-4H3/t9-/m0/s1 |
| InChIKey |
FGAUKUMZMDDMBK-VIFPVBQESA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202200058 |
| Molecular Weight |
176.259 g/mol |
| Optical Rotation |
[a]D20 = 30.6 (365 nm), 14.0 (436 nm), 6.3 (546 nm), 5.1 (579 nm), 4.5 (589 nm) (1.0 g/100 ml in CHCl3) |
| Quality |
331 |
| SMILES |
C1=C(C=C(C(=C1)C)OC)[C@](C=C)(C)[H] |
| SPLASH |
splash10-03fr-1900000000-901b23276a0eb4bb6e72 |
| Source of Spectrum |
K1-2022-SM22-7 (DOI: 10.1002/ejoc.202200058) |
| Thin-Layer Chromatography |
0.2 (SiO2, pentane) |
| Wiley ID |
1898700 |
