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Isovaleramide, N-propyl-N-dodecyl-

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

Isovaleramide, N-propyl-N-dodecyl-
SpectraBase Compound ID 3kk9zy8FwVO
InChI InChI=1S/C20H41NO/c1-5-7-8-9-10-11-12-13-14-15-17-21(16-6-2)20(22)18-19(3)4/h19H,5-18H2,1-4H3
InChIKey RQDBCVPDQIRVPG-UHFFFAOYSA-N
Mol Weight 311.6 g/mol
Molecular Formula C20H41NO
Exact Mass 311.318815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4UVGzqyb5D
Name Isovaleramide, N-propyl-N-dodecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.318814943 u
Formula C20H41NO
InChI InChI=1S/C20H41NO/c1-5-7-8-9-10-11-12-13-14-15-17-21(16-6-2)20(22)18-19(3)4/h19H,5-18H2,1-4H3
InChIKey RQDBCVPDQIRVPG-UHFFFAOYSA-N
Molecular Weight 311.554 g/mol
SMILES C(N(CCC)CCCCCCCCCCCC)(=O)CC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88444