5-Hexyl-10-(4-methylphenyl)-20-(2,4,6-trimethoxyphenyl)porphyrin

SpectraBase Compound ID	E1DYbAcTnTD
InChI	InChI=1S/C42H42N4O3/c1-6-7-8-9-10-31-32-19-21-35(45-32)40(27-13-11-26(2)12-14-27)34-17-15-28(43-34)23-29-16-18-36(44-29)41(37-22-20-33(31)46-37)42-38(48-4)24-30(47-3)25-39(42)49-5/h11-25,43,46H,6-10H2,1-5H3/b28-23-,29-23-,32-31-,33-31-,40-34-,40-35-,41-36+,41-37+
InChIKey	YIJLTETVIGAFKC-YFOSYWFDSA-N Google Search
Mol Weight	650.8 g/mol
Molecular Formula	C42H42N4O3
Exact Mass	650.325691 g/mol

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SpectraBase Spectrum ID	22qvDPBBIXE
Name	5-Hexyl-10-(4-methylphenyl)-20-(2,4,6-trimethoxyphenyl)porphyrin
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H42N4O3
InChI	InChI=1S/C42H42N4O3/c1-6-7-8-9-10-31-32-19-21-35(45-32)40(27-13-11-26(2)12-14-27)34-17-15-28(43-34)23-29-16-18-36(44-29)41(37-22-20-33(31)46-37)42-38(48-4)24-30(47-3)25-39(42)49-5/h11-25,43,46H,6-10H2,1-5H3/b28-23-,29-23-,32-31-,33-31-,40-34-,40-35-,41-36+,41-37+
InChIKey	YIJLTETVIGAFKC-YFOSYWFDSA-N
Molecular Weight	650.823 g/mol
SMILES	[nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2)cc4)-c2c(cc(cc2OC)OC)OC)cc3)CCCCCC)cc1)-c1ccc(cc1)C
SPLASH	splash10-0ufr-0000039000-b3da5ee59e04e5d89e36
Source of Spectrum	U1-2010-248-61
Wiley ID	1663751