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(Z)-1,1,6-Trimethyl-4-methylidene-6-cycloocten-3-one

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

(Z)-1,1,6-Trimethyl-4-methylidene-6-cycloocten-3-one
SpectraBase Compound ID GZ9xgNBiCt
InChI InChI=1S/C12H18O/c1-9-5-6-12(3,4)8-11(13)10(2)7-9/h5H,2,6-8H2,1,3-4H3/b9-5-
InChIKey YFKYUZHEOKVKCG-UITAMQMPSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L0awOPWNFir
Name (Z)-1,1,6-Trimethyl-4-methylidene-6-cycloocten-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9-5-6-12(3,4)8-11(13)10(2)7-9/h5H,2,6-8H2,1,3-4H3/b9-5-
InChIKey YFKYUZHEOKVKCG-UITAMQMPSA-N
Molecular Weight 178.275 g/mol
SMILES C1(C(CC(C)(C)C\C=C/(C1)C)=O)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971186