SpectraBase Spectrum ID |
H2u9ZSyWpA7 |
Name |
(S)-3-((1R,4S)-5,6-Dimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)butanal |
Appearance |
Viscous oil |
Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
290.188194694 u |
Formula |
C18H26O3 |
GC Column |
Optima-1-MS (30 m x 0.25 mm) |
GC Oven Program |
Oven temp 300oC |
InChI |
InChI=1S/C18H26O3/c1-11(8-9-19)14-7-6-12(2)16-15(14)10-13(3)17(20-4)18(16)21-5/h9-12,14H,6-8H2,1-5H3/t11-,12-,14+/m0/s1 |
InChIKey |
SSPPOSFNSYSWPV-SGMGOOAPSA-N |
Instrument Name |
Agilent GC6890-HP 5973 |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/chem.202101863 |
Molecular Weight |
290.403 g/mol |
Optical Rotation |
[a]lambda20 = -0.7 (589 nm) (c = 0.66 g/100 ml, CHCl3) |
Quality |
286 |
SMILES |
COC1=C(C2=C(C=C1C)[C@](CC[C@@]2(C)[H])([C@](CC=O)(C)[H])[H])OC |
SPLASH |
splash10-014i-0290000000-f40eb5489b8a5c9d4e81 |
Sample Comments |
dr >/= 95:5 |
Source of Spectrum |
QE-27-SM30-17 (DOI: 10.1002/chem.202101863) |
Thin-Layer Chromatography |
0.29 (CyHex/EtOAc, 10:1) |
Wiley ID |
1902159 |