| SpectraBase Spectrum ID |
CBv9lnM2Ovs |
| Name |
2-Cyano-3-fluoro-N,N-diisopropylbenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.132491337 u |
| Formula |
C14H17FN2O |
| InChI |
InChI=1S/C14H17FN2O/c1-9(2)17(10(3)4)14(18)11-6-5-7-13(15)12(11)8-16/h5-7,9-10H,1-4H3 |
| InChIKey |
MHGKSTWACMOQFG-UHFFFAOYSA-N |
| Molecular Weight |
248.301 g/mol |
| SMILES |
C=1(C(=C(C(N(C(C)C)C(C)C)=O)C=CC1)C#N)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91584 |
