SpectraBase Spectrum ID |
3ygxoj0pzZx |
Name |
Benzamide, 3,4,5-trimethoxy-N-butyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
267.147058156 u |
Formula |
C14H21NO4 |
InChI |
InChI=1S/C14H21NO4/c1-5-6-7-15-14(16)10-8-11(17-2)13(19-4)12(9-10)18-3/h8-9H,5-7H2,1-4H3,(H,15,16) |
InChIKey |
VMBFKKOESWAMII-UHFFFAOYSA-N |
Molecular Weight |
267.325 g/mol |
SMILES |
C(C1=CC(OC)=C(OC)C(=C1)OC)(=O)NCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901606 |