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

*Links on SpectraBase are not permalinks.
3,5-Octadien-2-one, 8-(2,2-dimethyl-6-methylenecyclohexyl)-6-methyl-, [S-(E,E)]-
SpectraBase Compound ID I8pbxoZSzra
InChI InChI=1S/C18H28O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10,17H,2,7,9,11-13H2,1,3-5H3/b10-6+,14-8+/t17-/m1/s1
InChIKey KEXFACKEWVXUJY-VUSCCGPNSA-N
Mol Weight 260.42 g/mol
Molecular Formula C18H28O
Exact Mass 260.214016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID AYQiFt4THyN
Name 3,5-Octadien-2-one, 8-(2,2-dimethyl-6-methylenecyclohexyl)-6-methyl-, [S-(E,E)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.214015521 u
Formula C18H28O
InChI InChI=1S/C18H28O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10,17H,2,7,9,11-13H2,1,3-5H3/b10-6+,14-8+/t17-/m1/s1
InChIKey KEXFACKEWVXUJY-VUSCCGPNSA-N
Molecular Weight 260.421 g/mol
SMILES [C@@]1(C(=C)CCCC1(C)C)(CC\C(=C\C=C\C(=O)C)C)[H]