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(1R,4S)-6-Methoxy-4,7-dimethyl-1-((S)-6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene
SpectraBase Compound ID 6wpHTLpnl2t
InChI InChI=1S/C21H32O/c1-14(2)8-7-9-15(3)18-11-10-16(4)19-13-21(22-6)17(5)12-20(18)19/h8,12-13,15-16,18H,7,9-11H2,1-6H3/t15-,16-,18+/m0/s1
InChIKey DGHFMCWNIHJJQB-XYJFISCASA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkrL97kJWxC
Name (1R,4S)-6-Methoxy-4,7-dimethyl-1-((S)-6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene
Appearance Viscous colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.245315649 u
Formula C21H32O
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C21H32O/c1-14(2)8-7-9-15(3)18-11-10-16(4)19-13-21(22-6)17(5)12-20(18)19/h8,12-13,15-16,18H,7,9-11H2,1-6H3/t15-,16-,18+/m0/s1
InChIKey DGHFMCWNIHJJQB-XYJFISCASA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Optical Rotation [a]D20 = 24.2 (365 nm), 14.6 (436 nm), 18.8 (546 nm), 17.9 (579 nm), 17.3 (589 nm) (0.935 g/100 ml in CHCl3))
Quality 243
SMILES C12=C(C=C(C(=C2)C)OC)[C@](CC[C@@]1([C@@](C)(CCC=C(C)C)[H])[H])(C)[H]
SPLASH splash10-000i-0901000000-663efe83bbb15c5ecdac
Source of Spectrum K1-2022-SM34-25 (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.3 (SiO2, cHex/EtOAc, 50:1)
Wiley ID 1898692