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Hexanamide, 3,5,5-trimethyl-N-pentyl-

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Hexanamide, 3,5,5-trimethyl-N-pentyl-
SpectraBase Compound ID 8aA90ySd8DJ
InChI InChI=1S/C14H29NO/c1-6-7-8-9-15-13(16)10-12(2)11-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16)
InChIKey PBMYCJQNFDFWGR-UHFFFAOYSA-N
Mol Weight 227.39 g/mol
Molecular Formula C14H29NO
Exact Mass 227.224915 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID x3rHNgMVfH
Name Hexanamide, 3,5,5-trimethyl-N-pentyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.224914557 u
Formula C14H29NO
InChI InChI=1S/C14H29NO/c1-6-7-8-9-15-13(16)10-12(2)11-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16)
InChIKey PBMYCJQNFDFWGR-UHFFFAOYSA-N
Molecular Weight 227.392 g/mol
SMILES C(=O)(NCCCCC)CC(CC(C)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861304