SpectraBase Spectrum ID |
JYwQlEFpdWT |
Name |
Benzamide, 2,5-difluoro-N-butyl-N-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
367.268671076 u |
Formula |
C22H35F2NO |
InChI |
InChI=1S/C22H35F2NO/c1-3-5-7-8-9-10-11-12-13-17-25(16-6-4-2)22(26)20-18-19(23)14-15-21(20)24/h14-15,18H,3-13,16-17H2,1-2H3 |
InChIKey |
CJYHHEATLPELIZ-UHFFFAOYSA-N |
Molecular Weight |
367.525 g/mol |
SMILES |
C1=C(C=C(C(=C1)F)C(N(CCCCCCCCCCC)CCCC)=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870369 |