| SpectraBase Spectrum ID |
4K9PpOkWjWN |
| Name |
Benzamide, 3-chloro-2-fluoro-N-(2-butyl)-N-hexyl- |
| 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/c1-4-6-7-8-12-20(13(3)5-2)17(21)14-10-9-11-15(18)16(14)19/h9-11,13H,4-8,12H2,1-3H3 |
| InChIKey |
UALXFYIWNRHVPJ-UHFFFAOYSA-N |
| Molecular Weight |
313.844 g/mol |
| SMILES |
C(N(C(CC)C)C(=O)C=1C(F)=C(C=CC1)Cl)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80179 |
