SpectraBase Spectrum ID |
1A66BsGHtbA |
Name |
2-Naphthalenecarboxamide, N,N'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-hydroxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
584.194736624 u |
Formula |
C36H28N2O6 |
InChI |
InChI=1S/C36H28N2O6/c1-43-33-19-25(11-13-29(33)37-35(41)27-15-21-7-3-5-9-23(21)17-31(27)39)26-12-14-30(34(20-26)44-2)38-36(42)28-16-22-8-4-6-10-24(22)18-32(28)40/h3-20,39-40H,1-2H3,(H,37,41)(H,38,42) |
InChIKey |
AXUHYNGMYQMRRI-UHFFFAOYSA-N |
Molecular Weight |
584.628 g/mol |
SMILES |
N(C(C1=CC=2C=CC=CC2C=C1O)=O)C1=CC=C(C2=CC=C(C(=C2)OC)NC(C=2C(=CC=3C=CC=CC3C2)O)=O)C=C1OC |
Spectrum/Structure Validation Score (Raman) |
0.885158 |