Methylsulfonato[5,10,15,20-tetraphenylporphyrinato]indium

SpectraBase Compound ID	6pFJIFzM1oM
InChI	InChI=1S/C44H28N4.CH4O3S.In/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-5(2,3)4;/h1-28H;1H3,(H,2,3,4);/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey	JQXSUJQDSLNIHT-YKKPBKTHSA-M Google Search
Mol Weight	822.6 g/mol
Molecular Formula	C45H31InN4O3S
Exact Mass	822.115566 g/mol

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SpectraBase Spectrum ID	5kQ4cOop7VR
Name	Methylsulfonato[5,10,15,20-tetraphenylporphyrinato]indium
Alternate Name(s)	2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-indahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-22-yl methanesulfonate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C45H31InN4O3S
InChI	InChI=1S/C44H28N4.CH4O3S.In/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-5(2,3)4;/h1-28H;1H3,(H,2,3,4);/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey	JQXSUJQDSLNIHT-YKKPBKTHSA-M
Molecular Weight	822.646 g/mol
SMILES	c12[n]3[In]([n]4c(c(c5ccc(c2-c2ccccc2)n5)-c2ccccc2)ccc4c(c2nc(c(c3cc1)-c1ccccc1)cc2)-c1ccccc1)OS(=O)(=O)C
SPLASH	splash10-00fr-0000000890-a62e7ab03260f2c2b04d
Source of Spectrum	KA-1980-2084-2
Wiley ID	1417456