| SpectraBase Spectrum ID |
Iaw3K0RLS8o |
| Name |
Benzamide, 2,4,5-trifluoro-3-methoxy-N-(2-phenylethyl)-N-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.269813890 u |
| Formula |
C27H36F3NO2 |
| InChI |
InChI=1S/C27H36F3NO2/c1-3-4-5-6-7-8-9-10-14-18-31(19-17-21-15-12-11-13-16-21)27(32)22-20-23(28)25(30)26(33-2)24(22)29/h11-13,15-16,20H,3-10,14,17-19H2,1-2H3 |
| InChIKey |
FHLWULKADOYLEF-UHFFFAOYSA-N |
| Molecular Weight |
463.585 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=C(C(F)=C(C1)F)OC)F)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801793 |
