SpectraBase Spectrum ID |
FL7G7KjoPbg |
Name |
Benzamide, 2,4,5-trifluoro-3-methoxy-N-butyl-N-dodecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
429.285463955 u |
Formula |
C24H38F3NO2 |
InChI |
InChI=1S/C24H38F3NO2/c1-4-6-8-9-10-11-12-13-14-15-17-28(16-7-5-2)24(29)19-18-20(25)22(27)23(30-3)21(19)26/h18H,4-17H2,1-3H3 |
InChIKey |
UDQBDHASEMEQSG-UHFFFAOYSA-N |
Molecular Weight |
429.568 g/mol |
SMILES |
C1(=C(C=C(C(=C1OC)F)C(N(CCCCCCCCCCCC)CCCC)=O)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860294 |