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Polyimidine

View entire compound with spectra: 1 Raman

Polyimidine
SpectraBase Compound ID DvCp10bc7yJ
InChI InChI=1S/C48H36N2O2/c1-33-23-29-43-41(31-33)45(51)49(47(43,35-15-7-3-8-16-35)36-17-9-4-10-18-36)39-25-27-40(28-26-39)50-46(52)42-32-34(2)24-30-44(42)48(50,37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-32H,1-2H3
InChIKey YPOPALAHGLRSGX-UHFFFAOYSA-N
Mol Weight 672.8 g/mol
Molecular Formula C48H36N2O2
Exact Mass 672.277678 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GYqtmH0DPET
Name Polyimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 672.277678405 u
Formula C48H36N2O2
InChI InChI=1S/C48H36N2O2/c1-33-23-29-43-41(31-33)45(51)49(47(43,35-15-7-3-8-16-35)36-17-9-4-10-18-36)39-25-27-40(28-26-39)50-46(52)42-32-34(2)24-30-44(42)48(50,37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-32H,1-2H3
InChIKey YPOPALAHGLRSGX-UHFFFAOYSA-N
Molecular Weight 672.828 g/mol
Nominal Mass 672 u
SMILES C=1C2=C(C=C(C1)C)C(N(C2(C1=CC=CC=C1)C=1C=CC=CC1)C=1C=CC(=CC1)N1C(C2=C(C=CC(=C2)C)C1(C1=CC=CC=C1)C=1C=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Raman) 0.958344