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Isobutyramide, N-benzyl-N-octadecyl-

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

Isobutyramide, N-benzyl-N-octadecyl-
SpectraBase Compound ID JC6O3pAKf9T
InChI InChI=1S/C29H51NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(29(31)27(2)3)26-28-23-20-19-21-24-28/h19-21,23-24,27H,4-18,22,25-26H2,1-3H3
InChIKey MIOJDRZGPDQGSP-UHFFFAOYSA-N
Mol Weight 429.7 g/mol
Molecular Formula C29H51NO
Exact Mass 429.397065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DOVeXcQHGhF
Name Isobutyramide, N-benzyl-N-octadecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.397065265 u
Formula C29H51NO
InChI InChI=1S/C29H51NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(29(31)27(2)3)26-28-23-20-19-21-24-28/h19-21,23-24,27H,4-18,22,25-26H2,1-3H3
InChIKey MIOJDRZGPDQGSP-UHFFFAOYSA-N
Molecular Weight 429.733 g/mol
SMILES C(N(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861922