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Valeramide, 5-chloro-N-(2-ethylhexyl)-

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

Valeramide, 5-chloro-N-(2-ethylhexyl)-
SpectraBase Compound ID 3lxJLG9DQTk
InChI InChI=1S/C13H26ClNO/c1-3-5-8-12(4-2)11-15-13(16)9-6-7-10-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKey NQNCMKCHFSDKSW-UHFFFAOYSA-N
Mol Weight 247.81 g/mol
Molecular Formula C13H26ClNO
Exact Mass 247.170292 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LZPYpC4VlYj
Name Valeramide, 5-chloro-N-(2-ethylhexyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.170292160 u
Formula C13H26ClNO
InChI InChI=1S/C13H26ClNO/c1-3-5-8-12(4-2)11-15-13(16)9-6-7-10-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKey NQNCMKCHFSDKSW-UHFFFAOYSA-N
Molecular Weight 247.810 g/mol
SMILES C(NCC(CCCC)CC)(=O)CCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966772