| SpectraBase Spectrum ID |
CfGATQ7h21x |
| Name |
3-Fluorobenzoic acid, N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)hydrazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.101919483 u |
| Formula |
C13H14FN3O3 |
| InChI |
InChI=1S/C13H14FN3O3/c1-2-17-11(18)7-10(13(17)20)15-16-12(19)8-4-3-5-9(14)6-8/h3-6,10,15H,2,7H2,1H3,(H,16,19) |
| InChIKey |
VLBORCWONHZMKM-UHFFFAOYSA-N |
| Molecular Weight |
279.271 g/mol |
| SMILES |
CCN1C(C(NNC(C=2C=C(C=CC2)F)=O)CC1=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851782 |
