| SpectraBase Spectrum ID |
65gRlcqQwnr |
| Name |
5'-Fluoro-2'-(3-methylbutyl)oxy-4-methoxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.163122761 u |
| Formula |
C21H23FO3 |
| InChI |
InChI=1S/C21H23FO3/c1-15(2)12-13-25-21-11-7-17(22)14-19(21)20(23)10-6-16-4-8-18(24-3)9-5-16/h4-11,14-15H,12-13H2,1-3H3/b10-6+ |
| InChIKey |
NROFQWVBTGUWIQ-UXBLZVDNSA-N |
| Molecular Weight |
342.410 g/mol |
| SMILES |
C1(=C(C=CC(=C1)F)OCCC(C)C)C(\C=C\C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949723 |
