| SpectraBase Spectrum ID |
5rY6mH5vbZO |
| Name |
3-[(4-Chloro-2,3,5,6-tetrafluorophenylamino)phenylmethyl]but-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.054354361 u |
| Formula |
C17H12ClF4NO |
| InChI |
InChI=1S/C17H12ClF4NO/c1-8(9(2)24)16(10-6-4-3-5-7-10)23-17-14(21)12(19)11(18)13(20)15(17)22/h3-7,16,23H,1H2,2H3 |
| InChIKey |
SQXXDLRMFKHHCD-UHFFFAOYSA-N |
| Molecular Weight |
357.736 g/mol |
| SMILES |
C=1(C(=C(F)C(=C(C1F)F)Cl)F)NC(C(C(=O)C)=C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874415 |
![3-[(4-Chloro-2,3,5,6-tetrafluorophenylamino)phenylmethyl]but-3-en-2-one](/api/spectrum/5rY6mH5vbZO/structure.png?h=300&w=458 "3-[(4-Chloro-2,3,5,6-tetrafluorophenylamino)phenylmethyl]but-3-en-2-one")
