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Hexanamide, 3,5,5-trimethyl-N-hexyl-

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Hexanamide, 3,5,5-trimethyl-N-hexyl-
SpectraBase Compound ID IsD1p991hPn
InChI InChI=1S/C15H31NO/c1-6-7-8-9-10-16-14(17)11-13(2)12-15(3,4)5/h13H,6-12H2,1-5H3,(H,16,17)
InChIKey SNMBPAZBQFLDIO-UHFFFAOYSA-N
Mol Weight 241.42 g/mol
Molecular Formula C15H31NO
Exact Mass 241.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G95Xw61aG75
Name Hexanamide, 3,5,5-trimethyl-N-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.240564621 u
Formula C15H31NO
InChI InChI=1S/C15H31NO/c1-6-7-8-9-10-16-14(17)11-13(2)12-15(3,4)5/h13H,6-12H2,1-5H3,(H,16,17)
InChIKey SNMBPAZBQFLDIO-UHFFFAOYSA-N
Molecular Weight 241.419 g/mol
SMILES C(=O)(NCCCCCC)CC(CC(C)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956917