| SpectraBase Spectrum ID |
KihYUpP6cqQ |
| Name |
Terephthalanilide, 4',4''-dicarbethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.163436495 u |
| Formula |
C26H24N2O6 |
| InChI |
InChI=1S/C26H24N2O6/c1-3-33-25(31)19-9-13-21(14-10-19)27-23(29)17-5-7-18(8-6-17)24(30)28-22-15-11-20(12-16-22)26(32)34-4-2/h5-16H,3-4H2,1-2H3,(H,27,29)(H,28,30) |
| InChIKey |
GKBFDMMDHGVNEI-UHFFFAOYSA-N |
| Molecular Weight |
460.486 g/mol |
| SMILES |
C1=CC(C(OCC)=O)=CC=C1NC(=O)C1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933063 |
