SpectraBase Spectrum ID |
9DpQvpqQBDd |
Name |
m-Terephthalanisidide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
376.142307128 u |
Formula |
C22H20N2O4 |
InChI |
InChI=1S/C22H20N2O4/c1-27-19-7-3-5-17(13-19)23-21(25)15-9-11-16(12-10-15)22(26)24-18-6-4-8-20(14-18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26) |
InChIKey |
BTEAFZRBSOWUOB-UHFFFAOYSA-N |
Molecular Weight |
376.412 g/mol |
SMILES |
COC1=CC(=CC=C1)NC(=O)C1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941614 |