| SpectraBase Spectrum ID |
9jm2HyfflvV |
| Name |
Benzamide, 4-chloro-N-(2-butyl)-N-(hept-2-yl)- |
| 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/c1-5-7-8-9-15(4)20(14(3)6-2)18(21)16-10-12-17(19)13-11-16/h10-15H,5-9H2,1-4H3 |
| InChIKey |
XKTTZOYFCWSTBA-UHFFFAOYSA-N |
| Molecular Weight |
309.881 g/mol |
| SMILES |
C(=O)(N(C(CCCCC)C)C(CC)C)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841468 |
