SpectraBase Spectrum ID |
K0dzeI9vYaS |
Name |
Benzamide, 3,4-dimethoxy-N-benzyl-N-pentyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
341.199093730 u |
Formula |
C21H27NO3 |
InChI |
InChI=1S/C21H27NO3/c1-4-5-9-14-22(16-17-10-7-6-8-11-17)21(23)18-12-13-19(24-2)20(15-18)25-3/h6-8,10-13,15H,4-5,9,14,16H2,1-3H3 |
InChIKey |
SPMZMVJOQADNDD-UHFFFAOYSA-N |
Molecular Weight |
341.451 g/mol |
SMILES |
C(N(CCCCC)CC1=CC=CC=C1)(=O)C=1C=C(C(=CC1)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958104 |