SpectraBase Spectrum ID |
AeJlWkrZxNC |
Name |
N-Benzyl-N'-(2-fluorophenyl)ethanediamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.096105828 u |
Formula |
C15H13FN2O2 |
InChI |
InChI=1S/C15H13FN2O2/c16-12-8-4-5-9-13(12)18-15(20)14(19)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)(H,18,20) |
InChIKey |
AESGMQYRVTZACO-UHFFFAOYSA-N |
Molecular Weight |
272.279 g/mol |
SMILES |
C(NC1=C(F)C=CC=C1)(C(NCC1=CC=CC=C1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953278 |