For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S)-3-((1R,4S)-5,6-Dimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)butanal
SpectraBase Compound ID 3Nuou9B5Nmm
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
Mol Weight 290.4 g/mol
Molecular Formula C18H26O3
Exact Mass 290.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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