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2,2'-[(trimethylenedioxy)bis(N-p-phenyleneformimidoyl)]diphenol
SpectraBase Compound ID BHLTnaxMoED
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
Mol Weight 466.54 g/mol
Molecular Formula C29H26N2O4
Exact Mass 466.189257 g/mol

Raman Spectrum

Raman Spectrum

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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