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Valeramide, N-(2-phenylethyl)-N-octadecyl-

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

Valeramide, N-(2-phenylethyl)-N-octadecyl-
SpectraBase Compound ID 9nkXoLPhBYH
InChI InChI=1S/C31H55NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-32(31(33)26-6-4-2)29-27-30-24-21-20-22-25-30/h20-22,24-25H,3-19,23,26-29H2,1-2H3
InChIKey QVVAYAORMXAPKA-UHFFFAOYSA-N
Mol Weight 457.8 g/mol
Molecular Formula C31H55NO
Exact Mass 457.428365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7RcFvBe51S
Name Valeramide, N-(2-phenylethyl)-N-octadecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.428365394 u
Formula C31H55NO
InChI InChI=1S/C31H55NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-32(31(33)26-6-4-2)29-27-30-24-21-20-22-25-30/h20-22,24-25H,3-19,23,26-29H2,1-2H3
InChIKey QVVAYAORMXAPKA-UHFFFAOYSA-N
Molecular Weight 457.787 g/mol
SMILES C1=C(C=CC=C1)CCN(C(=O)CCCC)CCCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925671