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(S)-3-((1R,4S)-6-Methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-ol
SpectraBase Compound ID FKMz9VyhNGp
InChI InChI=1S/C17H26O2/c1-11-5-6-14(12(2)7-8-18)16-9-13(3)17(19-4)10-15(11)16/h9-12,14,18H,5-8H2,1-4H3/t11-,12-,14+/m0/s1
InChIKey LFUIZJRBOZTEQP-SGMGOOAPSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqUKlgGJShx
Name (S)-3-((1R,4S)-6-Methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-ol
Appearance Highly viscous yellow oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.193280075 u
Formula C17H26O2
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C17H26O2/c1-11-5-6-14(12(2)7-8-18)16-9-13(3)17(19-4)10-15(11)16/h9-12,14,18H,5-8H2,1-4H3/t11-,12-,14+/m0/s1
InChIKey LFUIZJRBOZTEQP-SGMGOOAPSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Molecular Weight 262.393 g/mol
Optical Rotation [a]D20 = 66.5 (436 nm), 44.7 (546 nm), 40.4 (579 nm), 39.0 (589 nm) (1.0 g/100 ml in CHCl3)
Quality 427
SMILES OCC[C@@]([C@]1(CC[C@@](C2=C1C=C(C(=C2)OC)C)(C)[H])[H])(C)[H]
SPLASH splash10-000i-0920000000-25874fdd33c75f3d8133
Source of Spectrum K1-2022-SM30-21 (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.3 (SiO2, cHex/EtOAc, 3:1)
Wiley ID 1898689