SpectraBase Spectrum ID |
9gOVUZ695kP |
Name |
Acetamide, 2-phenyl-N-benzyl-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
309.209264492 u |
Formula |
C21H27NO |
InChI |
InChI=1S/C21H27NO/c1-2-3-4-11-16-22(18-20-14-9-6-10-15-20)21(23)17-19-12-7-5-8-13-19/h5-10,12-15H,2-4,11,16-18H2,1H3 |
InChIKey |
AGNWXABNXYMPSI-UHFFFAOYSA-N |
Molecular Weight |
309.453 g/mol |
SMILES |
C(N(CCCCCC)CC1=CC=CC=C1)(=O)CC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818902 |