SpectraBase Spectrum ID |
FMwP9H2x8li |
Name |
Acetamide, 2-(4-methoxyphenyl)-N-(2-pentyl)-N-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
389.329379627 u |
Formula |
C25H43NO2 |
InChI |
InChI=1S/C25H43NO2/c1-5-7-8-9-10-11-12-13-14-20-26(22(3)15-6-2)25(27)21-23-16-18-24(28-4)19-17-23/h16-19,22H,5-15,20-21H2,1-4H3 |
InChIKey |
ZYNGEQCNVDYYMN-UHFFFAOYSA-N |
Molecular Weight |
389.624 g/mol |
SMILES |
C(N(CCCCCCCCCCC)C(CCC)C)(=O)CC=1C=CC(OC)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901678 |