SpectraBase Spectrum ID |
E01wYNEMonB |
Name |
Benzamide, N,N-didecyl-4-fluoro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
419.356343267 u |
Formula |
C27H46FNO |
InChI |
InChI=1S/C27H46FNO/c1-3-5-7-9-11-13-15-17-23-29(24-18-16-14-12-10-8-6-4-2)27(30)25-19-21-26(28)22-20-25/h19-22H,3-18,23-24H2,1-2H3 |
InChIKey |
SEDQDGSOVLATCW-UHFFFAOYSA-N |
Molecular Weight |
419.669 g/mol |
SMILES |
C1=C(C=CC(=C1)C(N(CCCCCCCCCC)CCCCCCCCCC)=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856582 |