SpectraBase Spectrum ID |
KUWKEbiz8Vm |
Name |
N-[4,6-Dimethoxynaphth-1-ylmethyl]piperonylamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
351.147058156 u |
Formula |
C21H21NO4 |
InChI |
InChI=1S/C21H21NO4/c1-23-16-5-6-17-15(4-8-19(24-2)18(17)10-16)12-22-11-14-3-7-20-21(9-14)26-13-25-20/h3-10,22H,11-13H2,1-2H3 |
InChIKey |
PGTVAPPHFYYSCQ-UHFFFAOYSA-N |
Molecular Weight |
351.402 g/mol |
SMILES |
C1(=CC2=C(C=C1)C(=CC=C2OC)CNCC1=CC2=C(C=C1)OCO2)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966062 |