SpectraBase Spectrum ID |
5dzad2PeWFz |
Name |
Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, N'-(3-methylphenyl)hydrazide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
318.060310058 u |
Formula |
C11H9F7N2O |
InChI |
InChI=1S/C11H9F7N2O/c1-6-3-2-4-7(5-6)19-20-8(21)9(12,13)10(14,15)11(16,17)18/h2-5,19H,1H3,(H,20,21) |
InChIKey |
AVHNAQDZKPWIKP-UHFFFAOYSA-N |
Molecular Weight |
318.195 g/mol |
SMILES |
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)NNC1=CC(=CC=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888165 |