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2,5-Dixanthen-9-ylpyrrole

View entire compound with spectra: 2 NMR, and 1 FTIR

2,5-Dixanthen-9-ylpyrrole
SpectraBase Compound ID 23cLaTM4QHn
InChI InChI=1S/C30H21NO2/c1-5-13-25-19(9-1)29(20-10-2-6-14-26(20)32-25)23-17-18-24(31-23)30-21-11-3-7-15-27(21)33-28-16-8-4-12-22(28)30/h1-18,29-31H
InChIKey OTPIDJZCKFFEHB-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C30H21NO2
Exact Mass 427.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2EcTWqB9E5f
Name 2,5-Dixanthen-9-ylpyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.157228918 u
Formula C30H21NO2
InChI InChI=1S/C30H21NO2/c1-5-13-25-19(9-1)29(20-10-2-6-14-26(20)32-25)23-17-18-24(31-23)30-21-11-3-7-15-27(21)33-28-16-8-4-12-22(28)30/h1-18,29-31H
InChIKey OTPIDJZCKFFEHB-UHFFFAOYSA-N
Molecular Weight 427.503 g/mol
SMILES N1C(=CC=C1C1C=2C=CC=CC2OC=2C=CC=CC12)C1C=2C=CC=CC2OC=2C=CC=CC12