SpectraBase Spectrum ID |
JVbDyvKfDqA |
Name |
Hept-2-enoylamide, N-benzyl-N-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
371.318814943 u |
Formula |
C25H41NO |
InChI |
InChI=1S/C25H41NO/c1-3-5-7-9-10-11-12-13-18-22-26(23-24-19-15-14-16-20-24)25(27)21-17-8-6-4-2/h14-17,19-21H,3-13,18,22-23H2,1-2H3/b21-17+ |
InChIKey |
BPQDQUOMUHDIFS-HEHNFIMWSA-N |
Molecular Weight |
371.609 g/mol |
SMILES |
C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)\C=C\CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948394 |