SpectraBase Spectrum ID |
DVdX4F0TzG0 |
Name |
Benzamide, 2-chloro-N-(2-butyl)-N-dodecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
379.264192547 u |
Formula |
C23H38ClNO |
InChI |
InChI=1S/C23H38ClNO/c1-4-6-7-8-9-10-11-12-13-16-19-25(20(3)5-2)23(26)21-17-14-15-18-22(21)24/h14-15,17-18,20H,4-13,16,19H2,1-3H3 |
InChIKey |
MCKQTTHEJBFYDA-UHFFFAOYSA-N |
Molecular Weight |
380.016 g/mol |
SMILES |
C(N(CCCCCCCCCCCC)C(CC)C)(=O)C=1C(Cl)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853209 |