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Hept-2-enoylamide, N-hexyl-

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Hept-2-enoylamide, N-hexyl-
SpectraBase Compound ID 3kvfgI2DCCa
InChI InChI=1S/C13H25NO/c1-3-5-7-9-11-13(15)14-12-10-8-6-4-2/h9,11H,3-8,10,12H2,1-2H3,(H,14,15)/b11-9+
InChIKey WNNIQLWRCRNXHQ-PKNBQFBNSA-N
Mol Weight 211.35 g/mol
Molecular Formula C13H25NO
Exact Mass 211.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1H3D0RLZ7co
Name Hept-2-enoylamide, N-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.193614428 u
Formula C13H25NO
InChI InChI=1S/C13H25NO/c1-3-5-7-9-11-13(15)14-12-10-8-6-4-2/h9,11H,3-8,10,12H2,1-2H3,(H,14,15)/b11-9+
InChIKey WNNIQLWRCRNXHQ-PKNBQFBNSA-N
Molecular Weight 211.349 g/mol
SMILES C(=O)(NCCCCCC)\C=C\CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905692