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Cyclohexanecarboxaldehyde, 6-methyl-3-(1-methylethyl)-2-oxo-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Cyclohexanecarboxaldehyde, 6-methyl-3-(1-methylethyl)-2-oxo-
SpectraBase Compound ID BAvUdgMJ5ty
InChI InChI=1S/C11H18O2/c1-7(2)9-5-4-8(3)10(6-12)11(9)13/h6-10H,4-5H2,1-3H3
InChIKey MXTXPQAWZQKTNW-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BPrLoWiqxW9
Name Cyclohexanecarboxaldehyde, 6-methyl-3-(1-methylethyl)-2-oxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-7(2)9-5-4-8(3)10(6-12)11(9)13/h6-10H,4-5H2,1-3H3
InChIKey MXTXPQAWZQKTNW-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
SMILES C(=O)C1C(=O)C(C(C)C)CCC1C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836994