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1H-3a,6-Methanoazulen-2-ol, octahydro-3,7,7-trimethyl-8-methylene-, [2R-(2.alpha.,3.beta.,3a.beta.,6.beta.,8a.beta.)]-
SpectraBase Compound ID JBEeDNyaHGP
InChI InChI=1S/C15H24O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13+,15+/m0/s1
InChIKey JZLOTPMXLYBVOH-RLPMIEJPSA-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 IjRgnZW4knc
Name 1H-3a,6-Methanoazulen-2-ol, octahydro-3,7,7-trimethyl-8-methylene-, [2R-(2.alpha.,3.beta.,3a.beta.,6.beta.,8a.beta.)]-
Alternate Name(s) Zizanol
CAS Registry Number 28102-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O
InChI InChI=1S/C15H24O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13+,15+/m0/s1
InChIKey JZLOTPMXLYBVOH-RLPMIEJPSA-N
Molecular Weight 220.356 g/mol
SMILES O[C@]1([C@@]([C@@]23[C@@](C(=C)C([C@@](C3)([H])CC2)(C)C)(C1)[H])(C)[H])[H]
SPLASH splash10-0udi-1920000000-8f58cd32536d9d59d452
Source of Spectrum J-49-3831-0
Wiley ID 1220568