| SpectraBase Spectrum ID |
A5pLbdVRWNy |
| Name |
Terephthalanilide, 4',4''-dinitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.091334181 u |
| Formula |
C20H14N4O6 |
| InChI |
InChI=1S/C20H14N4O6/c25-19(21-15-5-9-17(10-6-15)23(27)28)13-1-2-14(4-3-13)20(26)22-16-7-11-18(12-8-16)24(29)30/h1-12H,(H,21,25)(H,22,26) |
| InChIKey |
LYTXPHIIIZQKMO-UHFFFAOYSA-N |
| Molecular Weight |
406.354 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C=C1)NC(=O)C1=CC=C(C=C1)C(=O)NC1=CC=C(N(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876343 |
