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(1R,3S,5R,8S)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-ol
SpectraBase Compound ID BNNICKyhTCB
InChI InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12,14,16H,1,5-8H2,2-4H3/t10?,11-,12+,14+/m0/s1
InChIKey PYNOUJREBZBBTE-JOEFCEOISA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACde0cOpaBR
Name (1R,3S,5R,8S)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O
InChI InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12,14,16H,1,5-8H2,2-4H3/t10?,11-,12+,14+/m0/s1
InChIKey PYNOUJREBZBBTE-JOEFCEOISA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 220.356 g/mol
Optical Rotation [a]D22 = -55.8 (c = 1.06, EtOH)
SMILES O[C@@]1(C[C@@](C=2C[C@@](CCC(C12)C)(C(=C)C)[H])(C)[H])[H]
SPLASH splash10-052g-4900000000-01b678406665ffdb25c0
Source of Spectrum WO2012001018A1
Wiley ID 1845338