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Valeramide, 2-methyl-N-benzyl-N-hexadecyl-

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

Valeramide, 2-methyl-N-benzyl-N-hexadecyl-
SpectraBase Compound ID 65LXrYutz1U
InChI InChI=1S/C29H51NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(29(31)27(3)22-5-2)26-28-23-19-18-20-24-28/h18-20,23-24,27H,4-17,21-22,25-26H2,1-3H3
InChIKey OTWVNSUPASIOGO-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 HyMw0sLBahh
Name Valeramide, 2-methyl-N-benzyl-N-hexadecyl-
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/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(29(31)27(3)22-5-2)26-28-23-19-18-20-24-28/h18-20,23-24,27H,4-17,21-22,25-26H2,1-3H3
InChIKey OTWVNSUPASIOGO-UHFFFAOYSA-N
Molecular Weight 429.733 g/mol
SMILES C(=O)(N(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1)C(C)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905093