| SpectraBase Spectrum ID |
HR7Ou1m19Gk |
| Name |
(S)-3-((1R,4S)-5,6-Dimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-ol |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.203844759 u |
| Formula |
C18H28O3 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C18H28O3/c1-11(8-9-19)14-7-6-12(2)16-15(14)10-13(3)17(20-4)18(16)21-5/h10-12,14,19H,6-9H2,1-5H3/t11-,12-,14+/m0/s1 |
| InChIKey |
AXPPPHGYZJNWQQ-SGMGOOAPSA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202101863 |
| Optical Rotation |
[a]lambda20 = 12.1 (436 nm), 15.1 (546 nm), 14.9 (579 nm), -7.1 (589 nm) (c = 0.75 g/100 ml, CHCl3) |
| Quality |
291 |
| SMILES |
OCC[C@@]([C@@]1(C2=C(C(=C(OC)C(=C2)C)OC)[C@](CC1)(C)[H])[H])(C)[H] |
| SPLASH |
splash10-014i-1390000000-27fab7b7c403c57a70fc |
| Sample Comments |
dr = 94:6 |
| Source of Spectrum |
QE-27-SM29-15b (DOI: 10.1002/chem.202101863) |
| Thin-Layer Chromatography |
0.30 (CyHex/EtOAc, 3:1) |
| Wiley ID |
1902157 |
