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3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-nonyl-

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

3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-nonyl-
SpectraBase Compound ID Fe3zlrP2J3
InChI InChI=1S/C26H45NO/c1-6-7-8-9-10-11-15-19-27(20-18-24-16-13-12-14-17-24)25(28)21-23(2)22-26(3,4)5/h12-14,16-17,23H,6-11,15,18-22H2,1-5H3
InChIKey WJHARVWGSXKKFN-UHFFFAOYSA-N
Mol Weight 387.7 g/mol
Molecular Formula C26H45NO
Exact Mass 387.350115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5P6xBPywvul
Name 3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-nonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.350115072 u
Formula C26H45NO
InChI InChI=1S/C26H45NO/c1-6-7-8-9-10-11-15-19-27(20-18-24-16-13-12-14-17-24)25(28)21-23(2)22-26(3,4)5/h12-14,16-17,23H,6-11,15,18-22H2,1-5H3
InChIKey WJHARVWGSXKKFN-UHFFFAOYSA-N
Molecular Weight 387.652 g/mol
SMILES C(CC(CC(N(CCCCCCCCC)CCC1=CC=CC=C1)=O)C)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884031