| SpectraBase Spectrum ID |
JW0MsAOQMUu |
| Name |
Benzamide, 3,4,5-trimethoxy-N-benzyl-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.256608607 u |
| Formula |
C25H35NO4 |
| InChI |
InChI=1S/C25H35NO4/c1-6-8-12-19(7-2)17-26(18-20-13-10-9-11-14-20)25(27)21-15-22(28-3)24(30-5)23(16-21)29-4/h9-11,13-16,19H,6-8,12,17-18H2,1-5H3 |
| InChIKey |
VKPVDFFAPUVYON-UHFFFAOYSA-N |
| Molecular Weight |
413.558 g/mol |
| SMILES |
C(N(CC(CCCC)CC)CC1=CC=CC=C1)(=O)C1=CC(OC)=C(OC)C(=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873789 |