| SpectraBase Spectrum ID |
DV3VVeNKTLf |
| Name |
Propenone, 3-(4-chloro-2-fluorophenylamino)-1-(4-methoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.061884524 u |
| Formula |
C16H13ClFNO2 |
| InChI |
InChI=1S/C16H13ClFNO2/c1-21-13-5-2-11(3-6-13)16(20)8-9-19-15-7-4-12(17)10-14(15)18/h2-10,19H,1H3/b9-8+ |
| InChIKey |
PEISTUARQFOCKN-CMDGGOBGSA-N |
| Molecular Weight |
305.736 g/mol |
| SMILES |
C1(=CC(=CC=C1N\C=C\C(C1=CC=C(OC)C=C1)=O)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883328 |
