| SpectraBase Spectrum ID |
B37taz5mc6r |
| Name |
Benzamide, 3,4-dimethoxy-N-(2-phenylethyl)-N-octyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.261693988 u |
| Formula |
C25H35NO3 |
| InChI |
InChI=1S/C25H35NO3/c1-4-5-6-7-8-12-18-26(19-17-21-13-10-9-11-14-21)25(27)22-15-16-23(28-2)24(20-22)29-3/h9-11,13-16,20H,4-8,12,17-19H2,1-3H3 |
| InChIKey |
RFEGFPYXAQGPRN-UHFFFAOYSA-N |
| Molecular Weight |
397.559 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(OC)=C(C1)OC)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937155 |
