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4,8-Methanoazulene-4(2H)-methanol, 3,3a,5,6,7,8-hexahydro-, (3a.alpha.,4.beta.,8.alpha.)-
SpectraBase Compound ID 2GbotwuZsiP
InChI InChI=1S/C12H18O/c13-8-12-6-2-3-9(7-12)10-4-1-5-11(10)12/h4,9,11,13H,1-3,5-8H2/t9-,11+,12-/m0/s1
InChIKey PJTKBIHQQUVYSR-WCQGTBRESA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1thB5lK1K46
Name 4,8-Methanoazulene-4(2H)-methanol, 3,3a,5,6,7,8-hexahydro-, (3a.alpha.,4.beta.,8.alpha.)-
CAS Registry Number 125877-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c13-8-12-6-2-3-9(7-12)10-4-1-5-11(10)12/h4,9,11,13H,1-3,5-8H2/t9-,11+,12-/m0/s1
InChIKey PJTKBIHQQUVYSR-WCQGTBRESA-N
Molecular Weight 178.275 g/mol
SMILES OC[C@]12[C@]3(C([C@](C2)(CCC1)[H])=CCC3)[H]
SPLASH splash10-00ou-9500000000-0ebc9ef8b25c4d9e30af
Source of Spectrum J-55-2747-12
Synonyms 4,8-Methanoazulene-4(2H)-methanol, 3,3a,5,6,7,8-hexahydro-, (3a.alpha.,4.alpha.,8.beta.)- (1R,2R,7S)-tricyclo[5.3.1.0(2,6)]undec-5-en-1-ylmethanol (3a.alpha.,4.alpha.,8.alpha.)-2,3,3a,4,5,6,7,8-octahydro-4,8-methanoazulene-4-methanol
Wiley ID 1174746