SpectraBase Spectrum ID |
6foKidUahqz |
Name |
2,2'-[(trimethylenedioxy)bis(N-p-phenyleneformimidoyl)]diphenol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
466.189257321 u |
Formula |
C29H26N2O4 |
InChI |
InChI=1S/C29H26N2O4/c32-28-8-3-1-6-22(28)20-30-24-10-14-26(15-11-24)34-18-5-19-35-27-16-12-25(13-17-27)31-21-23-7-2-4-9-29(23)33/h1-4,6-17,20-21,32-33H,5,18-19H2/b30-20+,31-21+ |
InChIKey |
QYDDXRKXVXACBV-OQIGUVFWSA-N |
Molecular Weight |
466.537 g/mol |
SMILES |
OC1=C(\C=N\C=2C=CC(OCCCOC3=CC=C(\N=C\C=4C(O)=CC=CC4)C=C3)=CC2)C=CC=C1 |
Spectrum/Structure Validation Score (Raman) |
0.707324 |