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Isovaleramide, N-propyl-N-octadecyl-

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

Isovaleramide, N-propyl-N-octadecyl-
SpectraBase Compound ID Lq49KVjjKei
InChI InChI=1S/C26H53NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27(22-6-2)26(28)24-25(3)4/h25H,5-24H2,1-4H3
InChIKey BUOJYJWJCJRBCX-UHFFFAOYSA-N
Mol Weight 395.7 g/mol
Molecular Formula C26H53NO
Exact Mass 395.412715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CHZ1sP9JEvC
Name Isovaleramide, N-propyl-N-octadecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.412715330 u
Formula C26H53NO
InChI InChI=1S/C26H53NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27(22-6-2)26(28)24-25(3)4/h25H,5-24H2,1-4H3
InChIKey BUOJYJWJCJRBCX-UHFFFAOYSA-N
Molecular Weight 395.716 g/mol
SMILES C(N(CCC)CCCCCCCCCCCCCCCCCC)(=O)CC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85394