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(1R,4S)-6-Methoxy-4,7-dimethyl-1-((S,E)-6-methylhepta-4,6-dien-2-yl)-1,2,3,4-tetrahydronaphthalene
SpectraBase Compound ID DztOsjfReha
InChI InChI=1S/C21H30O/c1-14(2)8-7-9-15(3)18-11-10-16(4)19-13-21(22-6)17(5)12-20(18)19/h7-8,12-13,15-16,18H,1,9-11H2,2-6H3/b8-7+/t15-,16-,18+/m0/s1
InChIKey XMPONACAKFZGFX-RDLYNPLESA-N
Mol Weight 298.47 g/mol
Molecular Formula C21H30O
Exact Mass 298.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89t73ZBZrwm
Name (1R,4S)-6-Methoxy-4,7-dimethyl-1-((S,E)-6-methylhepta-4,6-dien-2-yl)-1,2,3,4-tetrahydronaphthalene
Appearance Colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C21H30O/c1-14(2)8-7-9-15(3)18-11-10-16(4)19-13-21(22-6)17(5)12-20(18)19/h7-8,12-13,15-16,18H,1,9-11H2,2-6H3/b8-7+/t15-,16-,18+/m0/s1
InChIKey XMPONACAKFZGFX-RDLYNPLESA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Optical Rotation [a]D20 = -114.9 (365 nm), -29.9 (436 nm), -2.9 (546 nm), -0.4 (579 nm), -0.2 (589 nm) (0.85 g/100 ml in CHCl3)
Quality 188
SMILES C12=C(C=C(C(=C2)C)OC)[C@](CC[C@@]1([C@@](C)(C\C=C\C(=C)C)[H])[H])(C)[H]
SPLASH splash10-000i-0940000000-3305891a72184a023453
Source of Spectrum K1-2022-SM38-23 (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.4 (SiO2, cHex/EtOAc, 50:1)
Wiley ID 1898690