| SpectraBase Spectrum ID |
KWYf5rqdxqN |
| Name |
Benzamide, 3,4,5-trimethoxy-N-benzyl-N-octyl- |
| 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/c1-5-6-7-8-9-13-16-26(19-20-14-11-10-12-15-20)25(27)21-17-22(28-2)24(30-4)23(18-21)29-3/h10-12,14-15,17-18H,5-9,13,16,19H2,1-4H3 |
| InChIKey |
ZLSIIRKHGRPSDA-UHFFFAOYSA-N |
| Molecular Weight |
413.558 g/mol |
| SMILES |
C(N(CCCCCCCC)CC1=CC=CC=C1)(=O)C1=CC(OC)=C(OC)C(=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946898 |
