SpectraBase Spectrum ID |
BisU6yrk0E6 |
Name |
Benzamide, 3,4-difluoro-N-2-ethylhexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.159120625 u |
Formula |
C15H21F2NO |
InChI |
InChI=1S/C15H21F2NO/c1-3-5-6-11(4-2)10-18-15(19)12-7-8-13(16)14(17)9-12/h7-9,11H,3-6,10H2,1-2H3,(H,18,19) |
InChIKey |
KHFCULOIKKJIJE-UHFFFAOYSA-N |
Molecular Weight |
269.336 g/mol |
SMILES |
C(NCC(CCCC)CC)(=O)C=1C=CC(=C(F)C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833166 |