| SpectraBase Spectrum ID |
5htmjwywPcM |
| Name |
Benzamide, 3-chloro-2-fluoro-N-benzyl-N-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.223470549 u |
| Formula |
C25H33ClFNO |
| InChI |
InChI=1S/C25H33ClFNO/c1-2-3-4-5-6-7-8-9-13-19-28(20-21-15-11-10-12-16-21)25(29)22-17-14-18-23(26)24(22)27/h10-12,14-18H,2-9,13,19-20H2,1H3 |
| InChIKey |
ZALIGFYAQDEQDT-UHFFFAOYSA-N |
| Molecular Weight |
417.996 g/mol |
| SMILES |
C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845892 |
