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Heptanamide, N-(2-cyanoethyl)-N-hexyl-

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

Heptanamide, N-(2-cyanoethyl)-N-hexyl-
SpectraBase Compound ID 3DDILI62YSL
InChI InChI=1S/C16H30N2O/c1-3-5-7-9-12-16(19)18(15-11-13-17)14-10-8-6-4-2/h3-12,14-15H2,1-2H3
InChIKey LCECBCYVYGCMDO-UHFFFAOYSA-N
Mol Weight 266.43 g/mol
Molecular Formula C16H30N2O
Exact Mass 266.235814 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L2NxeLJPawC
Name Heptanamide, N-(2-cyanoethyl)-N-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.235813593 u
Formula C16H30N2O
InChI InChI=1S/C16H30N2O/c1-3-5-7-9-12-16(19)18(15-11-13-17)14-10-8-6-4-2/h3-12,14-15H2,1-2H3
InChIKey LCECBCYVYGCMDO-UHFFFAOYSA-N
Molecular Weight 266.429 g/mol
SMILES C(N(CCCCCC)CCC#N)(CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979577