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2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]ethanol
SpectraBase Compound ID 4rl17I1Orb4
InChI InChI=1S/C16H28O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h13-14,17H,1,5-11H2,2-4H3/t13-,14-,16+/m0/s1
InChIKey HNMLWBVQOGTAFV-OFQRWUPVSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdyqNboP3Se
Name 2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]ethanol
Appearance oil
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Formula C16H28O
InChI InChI=1S/C16H28O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h13-14,17H,1,5-11H2,2-4H3/t13-,14-,16+/m0/s1
InChIKey HNMLWBVQOGTAFV-OFQRWUPVSA-N
Instrument Name Varian Saturn GC/MS 2000
Ionization Type EI
Literature Reference DOI 10.1021/np030166o
Molecular Weight 236.399 g/mol
Optical Rotation [a]D24 = +28 (c = 2.0, CHCl3)
SMILES OCC[C@@]1([C@]2(CCCC([C@@]2(CCC1=C)[H])(C)C)C)[H]
SPLASH splash10-002s-7970000000-27f297182c06ce338dff
Source of Spectrum G4-66-1625-7
Wiley ID 1883929