| SpectraBase Spectrum ID |
J9KqTsc8W9X |
| Name |
Benzamide, 3-chloro-2-fluoro-N-(2-pentyl)-N-(3-methylbutyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.160870291 u |
| Formula |
C17H25ClFNO |
| InChI |
InChI=1S/C17H25ClFNO/c1-5-7-13(4)20(11-10-12(2)3)17(21)14-8-6-9-15(18)16(14)19/h6,8-9,12-13H,5,7,10-11H2,1-4H3 |
| InChIKey |
GYSMTLPVWQLBEN-UHFFFAOYSA-N |
| Molecular Weight |
313.844 g/mol |
| SMILES |
C(C1=C(C(=CC=C1)Cl)F)(N(CCC(C)C)C(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83935 |
