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3-[(1S,4S)-6-methoxy-4,7-dimethyl-tetralin-1-yl]but-3-en-1-ol
SpectraBase Compound ID AEU47CAeU5u
InChI InChI=1S/C17H24O2/c1-11-5-6-14(12(2)7-8-18)16-9-13(3)17(19-4)10-15(11)16/h9-11,14,18H,2,5-8H2,1,3-4H3/t11-,14-/m0/s1
InChIKey HPPWFTIVFZBAHT-FZMZJTMJSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vDDqwFxmuu
Name 3-[(1S,4S)-6-methoxy-4,7-dimethyl-tetralin-1-yl]but-3-en-1-ol
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.177630011 u
Formula C17H24O2
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C17H24O2/c1-11-5-6-14(12(2)7-8-18)16-9-13(3)17(19-4)10-15(11)16/h9-11,14,18H,2,5-8H2,1,3-4H3/t11-,14-/m0/s1
InChIKey HPPWFTIVFZBAHT-FZMZJTMJSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Molecular Weight 260.377 g/mol
Optical Rotation [a]D20 = 271.3 (365 nm), 162.3 (436 nm), 89.8 (546 nm), 77.8 (579 nm), 74.1 (589 nm) (1.0 g/100 ml in CHCl3)
Quality 476
SMILES OCCC([C@@]1(CC[C@@](C2=C1C=C(C(=C2)OC)C)(C)[H])[H])=C
SPLASH splash10-002r-0950000000-0cd43269e35bfab94e90
Source of Spectrum K1-2022-SM29-29-1 (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.4 (SiO2, cHex/MTBE, 2:1)
Wiley ID 1898693