| SpectraBase Spectrum ID |
GkvUEm8o8ku |
| Name |
Benzamide, 3-methoxy-2,4,5-trifluoro-N-benzyl-N-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.254163826 u |
| Formula |
C26H34F3NO2 |
| InChI |
InChI=1S/C26H34F3NO2/c1-3-4-5-6-7-8-9-10-14-17-30(19-20-15-12-11-13-16-20)26(31)21-18-22(27)24(29)25(32-2)23(21)28/h11-13,15-16,18H,3-10,14,17,19H2,1-2H3 |
| InChIKey |
ROCFDHKJDQUHKG-UHFFFAOYSA-N |
| Molecular Weight |
449.558 g/mol |
| SMILES |
C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C(=C(F)C1)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823615 |
