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

*Links on SpectraBase are not permalinks.
(3aS,8aR)-2,3,5,6,7,8-hexahydro-3a,8a-methano-1H,4H-azulen-1-one
SpectraBase Compound ID JyGHFN5Kw1a
InChI InChI=1S/C11H16O/c12-9-4-7-10-5-2-1-3-6-11(9,10)8-10/h1-8H2
InChIKey WTMXXBBMNDLFNZ-UHFFFAOYSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 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 5e5WanRwTpg
Name (3aS,8aR)-2,3,5,6,7,8-hexahydro-3a,8a-methano-1H,4H-azulen-1-one
CAS Registry Number 105616-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c12-9-4-7-10-5-2-1-3-6-11(9,10)8-10/h1-8H2
InChIKey WTMXXBBMNDLFNZ-UHFFFAOYSA-N
Molecular Weight 164.248 g/mol
SMILES C123C(CCCCC3)(CCC1=O)C2
SPLASH splash10-0096-9700000000-1a55590845541048ddee
Source of Spectrum F-43-690-39
Synonyms 1H,4H-3a,8a-Methanoazulen-1-one, hexahydro-
Wiley ID 1160879