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3-((1R,4S)-5,6-Dimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-en-1-ol
SpectraBase Compound ID Ii0KDk4draO
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/h10,12,14,19H,1,6-9H2,2-5H3/t12-,14+/m0/s1
InChIKey UCNNQCXSZYMMOS-GXTWGEPZSA-N
Mol Weight 290.4 g/mol
Molecular Formula C18H26O3
Exact Mass 290.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQzOeDkkNgC
Name 3-((1R,4S)-5,6-Dimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-en-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 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/h10,12,14,19H,1,6-9H2,2-5H3/t12-,14+/m0/s1
InChIKey UCNNQCXSZYMMOS-GXTWGEPZSA-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 = -6.6 (589 nm) (c = 0.62 g/100 ml, CHCl3)
Quality 413
SMILES OCCC([C@@]1(C2=C(C(=C(OC)C(=C2)C)OC)[C@](CC1)(C)[H])[H])=C
SPLASH splash10-0006-3490000000-d752305d88b220cb1f66
Source of Spectrum QE-27-SM28-trans-13b (DOI: 10.1002/chem.202101863)
Thin-Layer Chromatography 0.28 (CyHex/MTBE, 2:1)
Wiley ID 1902176