SpectraBase Spectrum ID |
EzkCxfDnF9x |
Name |
Benzamide, 2-chloro-N-undecyl- |
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/c1-2-3-4-5-6-7-8-9-12-15-20-18(21)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3,(H,20,21) |
InChIKey |
DEBKRCDZDHPIGM-UHFFFAOYSA-N |
Molecular Weight |
309.881 g/mol |
SMILES |
C(NCCCCCCCCCCC)(=O)C=1C=CC=CC1Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85997 |