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Valeramide, 5-phenyl-N-hexyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Valeramide, 5-phenyl-N-hexyl-
SpectraBase Compound ID CIqMhN6W0C8
InChI InChI=1S/C17H27NO/c1-2-3-4-10-15-18-17(19)14-9-8-13-16-11-6-5-7-12-16/h5-7,11-12H,2-4,8-10,13-15H2,1H3,(H,18,19)
InChIKey CRKNFIKBRFMVHG-UHFFFAOYSA-N
Mol Weight 261.41 g/mol
Molecular Formula C17H27NO
Exact Mass 261.209264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID gCkWStPEdc
Name Valeramide, 5-phenyl-N-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.209264492 u
Formula C17H27NO
InChI InChI=1S/C17H27NO/c1-2-3-4-10-15-18-17(19)14-9-8-13-16-11-6-5-7-12-16/h5-7,11-12H,2-4,8-10,13-15H2,1H3,(H,18,19)
InChIKey CRKNFIKBRFMVHG-UHFFFAOYSA-N
Molecular Weight 261.409 g/mol
SMILES C(=O)(NCCCCCC)CCCCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969245