| SpectraBase Spectrum ID |
5QSGoQc3m3D |
| Name |
2'-Hydroxy-4-methoxychalcone, pentafluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.073399710 u |
| Formula |
C19H13F5O4 |
| InChI |
InChI=1S/C19H13F5O4/c1-27-13-9-6-12(7-10-13)8-11-15(25)14-4-2-3-5-16(14)28-17(26)18(20,21)19(22,23)24/h2-11H,1H3/b11-8+ |
| InChIKey |
NMCXMXHPBVYINQ-DHZHZOJOSA-N |
| Molecular Weight |
400.301 g/mol |
| SMILES |
C1(=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932573 |
