| SpectraBase Spectrum ID |
IvQ15V55Xlz |
| Name |
Benzamide, 3-chloro-2-fluoro-N-(2-pentyl)-N-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.254770677 u |
| Formula |
C23H37ClFNO |
| InChI |
InChI=1S/C23H37ClFNO/c1-4-6-7-8-9-10-11-12-13-18-26(19(3)15-5-2)23(27)20-16-14-17-21(24)22(20)25/h14,16-17,19H,4-13,15,18H2,1-3H3 |
| InChIKey |
WCJVYWKQJGKROP-UHFFFAOYSA-N |
| Molecular Weight |
398.006 g/mol |
| SMILES |
C(C1=C(C(=CC=C1)Cl)F)(N(CCCCCCCCCCC)C(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828502 |
