SpectraBase Spectrum ID |
BUU1Vgb6JEZ |
Name |
Benzamide, 3,4-dimethoxy-N-benzyl-N-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
425.292994117 u |
Formula |
C27H39NO3 |
InChI |
InChI=1S/C27H39NO3/c1-4-5-6-7-8-9-10-11-15-20-28(22-23-16-13-12-14-17-23)27(29)24-18-19-25(30-2)26(21-24)31-3/h12-14,16-19,21H,4-11,15,20,22H2,1-3H3 |
InChIKey |
CUJHTSZHLOJJML-UHFFFAOYSA-N |
Molecular Weight |
425.613 g/mol |
SMILES |
C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C=C(C(=CC1)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919637 |