| SpectraBase Spectrum ID |
5WPhIBseWBe |
| Name |
N-Tolylamino-4-(4-trifluoromethylphenyl)but-3-ene-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.118398627 u |
| Formula |
C18H16F3NO |
| InChI |
InChI=1S/C18H16F3NO/c1-12-4-3-5-16(10-12)22-17(11-13(2)23)14-6-8-15(9-7-14)18(19,20)21/h3-11,22H,1-2H3/b17-11- |
| InChIKey |
PWMMVKYAZNLWFH-BOPFTXTBSA-N |
| Molecular Weight |
319.327 g/mol |
| SMILES |
C(\C=C\(NC1=CC(C)=CC=C1)C1=CC=C(C(F)(F)F)C=C1)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874168 |
