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

*Links on SpectraBase are not permalinks.
4-[(3-C13)-2,6,6-TRIMETHYL-1-CYCLOHEXENYL]-3-BUTEN-2-ONE;(3-C13)-BETA-IONONE
SpectraBase Compound ID 7mlU7Yot69m
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+/i6+1
InChIKey PSQYTAPXSHCGMF-CEJUGSGWSA-N
Mol Weight 193.29 g/mol
Molecular Formula C1213CH20O
Exact Mass 193.15477 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 IZpQpxYimvv
Name 4-[(3-C13)-2,6,6-TRIMETHYL-1-CYCLOHEXENYL]-3-BUTEN-2-ONE;(3-C13)-BETA-IONONE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1213CH20O
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+/i6+1
InChIKey PSQYTAPXSHCGMF-CEJUGSGWSA-N
Literature Reference Author R.GEBHARD,J.M.L.COURTIN,J.B.SHADID,J.VANHAVEREN,C.J.VANHAERI NGEN,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,108,207(1989)
Literature Reference DOI 10.1002/recl.19891080602
Molecular Weight 193.294 g/mol
Solvent CDCl3
Source File Reference UWED4310