5,10-bis(3-Methyl-4-nitrophenyl)-15,20-bis(3-methylphenyl)prophyrin

SpectraBase Compound ID	KSqjNf1bnAw
InChI	InChI=1S/C48H36N6O4/c1-27-7-5-9-31(23-27)45-35-13-14-36(49-35)46(32-10-6-8-28(2)24-32)38-16-18-40(51-38)48(34-12-22-44(54(57)58)30(4)26-34)42-20-19-41(52-42)47(39-17-15-37(45)50-39)33-11-21-43(53(55)56)29(3)25-33/h5-26,49,52H,1-4H3/b45-35-,45-37-,46-36-,46-38-,47-39-,47-41-,48-40-,48-42-
InChIKey	FQMCKUSUVAJNKS-IIZLVSSMSA-N Google Search
Mol Weight	760.9 g/mol
Molecular Formula	C48H36N6O4
Exact Mass	760.279804 g/mol

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SpectraBase Spectrum ID	1JYWErrQODV
Name	5,10-bis(3-Methyl-4-nitrophenyl)-15,20-bis(3-methylphenyl)prophyrin
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	760.279803659 u
Formula	C48H36N6O4
InChI	InChI=1S/C48H36N6O4/c1-27-7-5-9-31(23-27)45-35-13-14-36(49-35)46(32-10-6-8-28(2)24-32)38-16-18-40(51-38)48(34-12-22-44(54(57)58)30(4)26-34)42-20-19-41(52-42)47(39-17-15-37(45)50-39)33-11-21-43(53(55)56)29(3)25-33/h5-26,49,52H,1-4H3/b45-35-,45-37-,46-36-,46-38-,47-39-,47-41-,48-40-,48-42-
InChIKey	FQMCKUSUVAJNKS-IIZLVSSMSA-N
Molecular Weight	760.854 g/mol
SMILES	C=12N=C(C(=C3NC(=C(C4=CC(C)=CC=C4)C4=NC(=C(C=5NC(C1C1=CC(C)=C(N(=O)=O)C=C1)=CC5)C=1C=C(C)C(N(=O)=O)=CC1)C=C4)C=C3)C=1C=C(C)C=CC1)C=C2