| SpectraBase Spectrum ID |
5LHVHPnN3gT |
| Name |
4-Amino-2-(3,4,5-trimethoxyphenyl)naphthalene-1,3-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.126991416 u |
| Formula |
C21H17N3O3 |
| InChI |
InChI=1S/C21H17N3O3/c1-25-17-8-12(9-18(26-2)21(17)27-3)19-15(10-22)13-6-4-5-7-14(13)20(24)16(19)11-23/h4-9H,24H2,1-3H3 |
| InChIKey |
GDAPAYHQQXFMSD-UHFFFAOYSA-N |
| Molecular Weight |
359.385 g/mol |
| SMILES |
C=1(C(=C(C#N)C=2C(C1N)=CC=CC2)C=1C=C(OC)C(=C(C1)OC)OC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882812 |
