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5-Methyl-4-methylidene-3-(2-methylpropyl)hexanal

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

5-Methyl-4-methylidene-3-(2-methylpropyl)hexanal
SpectraBase Compound ID GFjiZ3tvyId
InChI InChI=1S/C12H22O/c1-9(2)8-12(6-7-13)11(5)10(3)4/h7,9-10,12H,5-6,8H2,1-4H3
InChIKey OVMIHXGTPJOXHR-UHFFFAOYSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HhHudwl0TFh
Name 5-Methyl-4-methylidene-3-(2-methylpropyl)hexanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.167065327 u
Formula C12H22O
InChI InChI=1S/C12H22O/c1-9(2)8-12(6-7-13)11(5)10(3)4/h7,9-10,12H,5-6,8H2,1-4H3
InChIKey OVMIHXGTPJOXHR-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
SMILES C(CC(C(C(C)C)=C)CC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956192