SpectraBase Spectrum ID |
2fSsFxFhwRz |
Name |
Benzamide, 2-chloro-N-(2-pentyl)-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
309.185942225 u |
Formula |
C18H28ClNO |
InChI |
InChI=1S/C18H28ClNO/c1-4-6-7-10-14-20(15(3)11-5-2)18(21)16-12-8-9-13-17(16)19/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3 |
InChIKey |
CVIGGMMATWKIPJ-UHFFFAOYSA-N |
Molecular Weight |
309.881 g/mol |
SMILES |
C(=O)(N(CCCCCC)C(CCC)C)C1=C(C=CC=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863945 |