| SpectraBase Spectrum ID |
4UEZEe5BwLK |
| Name |
2-Amino-4,5-difluorobenzonitrile, N,N-diacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.055383830 u |
| Formula |
C11H8F2N2O2 |
| InChI |
InChI=1S/C11H8F2N2O2/c1-6(16)15(7(2)17)11-4-10(13)9(12)3-8(11)5-14/h3-4H,1-2H3 |
| InChIKey |
NLJVXCISAJWGPX-UHFFFAOYSA-N |
| Molecular Weight |
238.194 g/mol |
| SMILES |
C1(F)=C(C=C(C(=C1)N(C(C)=O)C(=O)C)C#N)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833628 |
