| SpectraBase Spectrum ID |
HvPlMyMEqJs |
| Name |
5'-Fluoro-2'-ethoxy-4-methoxychalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.116172567 u |
| Formula |
C18H17FO3 |
| InChI |
InChI=1S/C18H17FO3/c1-3-22-18-11-7-14(19)12-16(18)17(20)10-6-13-4-8-15(21-2)9-5-13/h4-12H,3H2,1-2H3/b10-6+ |
| InChIKey |
VVJGCSIURWKUGY-UXBLZVDNSA-N |
| Molecular Weight |
300.329 g/mol |
| SMILES |
C1(=C(C=CC(=C1)F)OCC)C(\C=C\C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949388 |
