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

*Links on SpectraBase are not permalinks.

4-(2,2,4-Trimethylcyclohex-3-enyl)but-3-en-2-one

View entire compound with spectra: 1 FTIR

4-(2,2,4-Trimethylcyclohex-3-enyl)but-3-en-2-one
SpectraBase Compound ID LYLJTqUg2oN
InChI InChI=1S/C13H20O/c1-10-5-7-12(8-6-11(2)14)13(3,4)9-10/h6,8-9,12H,5,7H2,1-4H3/b8-6+
InChIKey BNIOOHCWAIPGQJ-SOFGYWHQSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 1qbtgT9ofL4
Name 4-(2,2,4-Trimethylcyclohex-3-enyl)but-3-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.151415263 u
Formula C13H20O
InChI InChI=1S/C13H20O/c1-10-5-7-12(8-6-11(2)14)13(3,4)9-10/h6,8-9,12H,5,7H2,1-4H3/b8-6+
InChIKey BNIOOHCWAIPGQJ-SOFGYWHQSA-N
Molecular Weight 192.302 g/mol
SMILES C1(=CC(C(CC1)\C=C\C(C)=O)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935534