SpectraBase Spectrum ID |
3NjnmzzA7RJ |
Name |
N-(5-Amino-2-fluorophenyl)isobutyramide, N'-methyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
210.116841273 u |
Formula |
C11H15FN2O |
InChI |
InChI=1S/C11H15FN2O/c1-7(2)11(15)14-10-6-8(13-3)4-5-9(10)12/h4-7,13H,1-3H3,(H,14,15) |
InChIKey |
AWDXVFCVLYVKQN-UHFFFAOYSA-N |
Molecular Weight |
210.252 g/mol |
SMILES |
C(C(C)C)(=O)NC1=C(C=CC(=C1)NC)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938827 |