| SpectraBase Spectrum ID |
LVKcpYmgI2o |
| Name |
Benzamide, N,N-dinonyl-3-trifluoromethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.321849464 u |
| Formula |
C26H42F3NO |
| InChI |
InChI=1S/C26H42F3NO/c1-3-5-7-9-11-13-15-20-30(21-16-14-12-10-8-6-4-2)25(31)23-18-17-19-24(22-23)26(27,28)29/h17-19,22H,3-16,20-21H2,1-2H3 |
| InChIKey |
QQCGQHFIKQFMFM-UHFFFAOYSA-N |
| Molecular Weight |
441.623 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(N(CCCCCCCCC)CCCCCCCCC)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85036 |
