| SpectraBase Spectrum ID |
5R37FL92Lo9 |
| Name |
Benzamide, 3-chloro-2-fluoro-N-butyl-N-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.239120613 u |
| Formula |
C22H35ClFNO |
| InChI |
InChI=1S/C22H35ClFNO/c1-3-5-7-8-9-10-11-12-13-18-25(17-6-4-2)22(26)19-15-14-16-20(23)21(19)24/h14-16H,3-13,17-18H2,1-2H3 |
| InChIKey |
QRRSLVAHKUHIAR-UHFFFAOYSA-N |
| Molecular Weight |
383.979 g/mol |
| SMILES |
C1=CC=C(C(=C1Cl)F)C(N(CCCC)CCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927902 |
