| SpectraBase Spectrum ID |
1lkFhIVG0NV |
| Name |
Penta-1,4-dien-3-one, 1-(2-chloro-6-fluorophenyl)-5-dimethylamino- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.066969905 u |
| Formula |
C13H13ClFNO |
| InChI |
InChI=1S/C13H13ClFNO/c1-16(2)9-8-10(17)6-7-11-12(14)4-3-5-13(11)15/h3-9H,1-2H3/b7-6+,9-8+ |
| InChIKey |
IBHIVQJKOJIYEH-BLHCBFLLSA-N |
| Molecular Weight |
253.704 g/mol |
| SMILES |
C1(\C=C\C(\C=C\N(C)C)=O)=C(Cl)C=CC=C1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942945 |
