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3-[(1S,4S)-5,6-dimethoxy-4,7-dimethyl-tetralin-1-yl]but-3-en-1-ol
SpectraBase Compound ID 78dAZwF7WZf
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-JSGCOSHPSA-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 DeBkJGw81BQ
Name 3-[(1S,4S)-5,6-dimethoxy-4,7-dimethyl-tetralin-1-yl]but-3-en-1-ol
Carrier Gas Hydrogen (1.7 ml/min, 1.2 bar)
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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-JSGCOSHPSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202101863
Molecular Weight 290.403 g/mol
Quality 397
SMILES OCCC([C@]1(C2=C(C(=C(OC)C(=C2)C)OC)[C@](CC1)(C)[H])[H])=C
SPLASH splash10-0006-1390000000-33b6748b4fdbb10ced78
Sample Comments Minor diastereomer
Source of Spectrum QE-27-SM28-cis-13b (DOI: 10.1002/chem.202101863)
Thin-Layer Chromatography 0.32 (CyHex/MTBE, 2:1)
Wiley ID 1902169