For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,4-Methanoazulen-9-one, 1,2,3,3a,4,5,6,8a-octahydro-8-methyl-, (1.alpha.,3a.beta.,4.alpha.,8a.beta.)-(.+-.)-
SpectraBase Compound ID A5aBZTmKEop
InChI InChI=1S/C12H16O/c1-7-3-2-4-9-8-5-6-10(11(7)8)12(9)13/h3,8-11H,2,4-6H2,1H3/t8-,9+,10+,11-/m1/s1
InChIKey VCQWMNKVLMFTSX-VPOLOUISSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KvcnLqsZ0Tj
Name 1,4-Methanoazulen-9-one, 1,2,3,3a,4,5,6,8a-octahydro-8-methyl-, (1.alpha.,3a.beta.,4.alpha.,8a.beta.)-(.+-.)-
CAS Registry Number 91885-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-7-3-2-4-9-8-5-6-10(11(7)8)12(9)13/h3,8-11H,2,4-6H2,1H3/t8-,9+,10+,11-/m1/s1
InChIKey VCQWMNKVLMFTSX-VPOLOUISSA-N
Molecular Weight 176.259 g/mol
SMILES [C@]12(C([C@]3(CCC=C([C@@]1([C@@]3(CC2)[H])[H])C)[H])=O)[H]
SPLASH splash10-004j-7900000000-d68835503504021d1402
Source of Spectrum H-67-1164-0
Synonyms (+-)-3-Methyltricyclo[5.4.0.0(2,9)]undec-3-en-8-one 3-Methyltricyclo[5.4.0.0(2,9)]undec-3-en-8-one
Wiley ID 1172723