SpectraBase Spectrum ID |
9Q1owVAJxf1 |
Name |
Octanamide, N-(3,4-dimethoxyphenethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
307.214743795 u |
Formula |
C18H29NO3 |
InChI |
InChI=1S/C18H29NO3/c1-4-5-6-7-8-9-18(20)19-13-12-15-10-11-16(21-2)17(14-15)22-3/h10-11,14H,4-9,12-13H2,1-3H3,(H,19,20) |
InChIKey |
PXEBMRBEQBFHQC-UHFFFAOYSA-N |
SMILES |
C(CCCCC)CC(=O)NCCC1=CC=C(OC)C(OC)=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975109 |