SpectraBase Spectrum ID |
D2uDFb5aaye |
Name |
Flavanone (heptafluorobutyryl)hydrazone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
434.086524806 u |
Formula |
C19H13F7N2O2 |
InChI |
InChI=1S/C19H13F7N2O2/c20-17(21,18(22,23)19(24,25)26)16(29)28-27-13-10-15(11-6-2-1-3-7-11)30-14-9-5-4-8-12(13)14/h1-9,15H,10H2,(H,28,29)/b27-13+ |
InChIKey |
NHYRSEYXSFUWCT-UVHMKAGCSA-N |
Molecular Weight |
434.314 g/mol |
SMILES |
C1(OC2=C(\C(C1)=N/NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC=C2)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938149 |