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Valeramide, 2-methyl-N-(2-phenylethyl)-N-octyl-

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

Valeramide, 2-methyl-N-(2-phenylethyl)-N-octyl-
SpectraBase Compound ID EaIiJ80L0xS
InChI InChI=1S/C22H37NO/c1-4-6-7-8-9-13-18-23(22(24)20(3)14-5-2)19-17-21-15-11-10-12-16-21/h10-12,15-16,20H,4-9,13-14,17-19H2,1-3H3
InChIKey QETHYALTNLHBEC-UHFFFAOYSA-N
Mol Weight 331.5 g/mol
Molecular Formula C22H37NO
Exact Mass 331.287515 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8JGAYpU3TMq
Name Valeramide, 2-methyl-N-(2-phenylethyl)-N-octyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.287514814 u
Formula C22H37NO
InChI InChI=1S/C22H37NO/c1-4-6-7-8-9-13-18-23(22(24)20(3)14-5-2)19-17-21-15-11-10-12-16-21/h10-12,15-16,20H,4-9,13-14,17-19H2,1-3H3
InChIKey QETHYALTNLHBEC-UHFFFAOYSA-N
Molecular Weight 331.544 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C(CCC)C)CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93234