SpectraBase Spectrum ID |
QEDA5G4BVN |
Name |
Benzamide, 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 |
345.303164879 u |
Formula |
C23H39NO |
InChI |
InChI=1S/C23H39NO/c1-4-6-7-8-9-10-11-12-16-20-24(21(3)17-5-2)23(25)22-18-14-13-15-19-22/h13-15,18-19,21H,4-12,16-17,20H2,1-3H3 |
InChIKey |
DQJCKPHHQRVRLP-UHFFFAOYSA-N |
Molecular Weight |
345.571 g/mol |
SMILES |
CCCC(N(C(=O)C=1C=CC=CC1)CCCCCCCCCCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916438 |