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Acetaldehyde, (2,2,6-trimethyl-4-oxocyclohexylidene)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Acetaldehyde, (2,2,6-trimethyl-4-oxocyclohexylidene)-
SpectraBase Compound ID 62dj7uvsF7i
InChI InChI=1S/C11H16O2/c1-8-6-9(13)7-11(2,3)10(8)4-5-12/h4-5,8H,6-7H2,1-3H3/b10-4+
InChIKey FIKBGFDQAVXBRK-ONNFQVAWSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5f3Gc5TMshx
Name Acetaldehyde, (2,2,6-trimethyl-4-oxocyclohexylidene)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.115029753 u
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-8-6-9(13)7-11(2,3)10(8)4-5-12/h4-5,8H,6-7H2,1-3H3/b10-4+
InChIKey FIKBGFDQAVXBRK-ONNFQVAWSA-N
Molecular Weight 180.247 g/mol
SMILES C1(\C(C(CC(C1)=O)C)=C\C=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966465