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Valeramide, 5-chloro-N-propyl-N-dodecyl-

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

Valeramide, 5-chloro-N-propyl-N-dodecyl-
SpectraBase Compound ID HPkwlIYlU2l
InChI InChI=1S/C20H40ClNO/c1-3-5-6-7-8-9-10-11-12-15-19-22(18-4-2)20(23)16-13-14-17-21/h3-19H2,1-2H3
InChIKey NHEVEMRIVWCFCI-UHFFFAOYSA-N
Mol Weight 346.0 g/mol
Molecular Formula C20H40ClNO
Exact Mass 345.279843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 21yxM2od4OV
Name Valeramide, 5-chloro-N-propyl-N-dodecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.279842611 u
Formula C20H40ClNO
InChI InChI=1S/C20H40ClNO/c1-3-5-6-7-8-9-10-11-12-15-19-22(18-4-2)20(23)16-13-14-17-21/h3-19H2,1-2H3
InChIKey NHEVEMRIVWCFCI-UHFFFAOYSA-N
Molecular Weight 345.999 g/mol
SMILES C(N(CCC)CCCCCCCCCCCC)(=O)CCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945302