3-(3-Cyanomethyl-7,8,12,13,17,18-hexaethyl-22,24-dihydro-porphin-2-yl)-acrylonitrile

SpectraBase Compound ID	EI6GS6Prv9u
InChI	InChI=1S/C37H40N6/c1-7-22-23(8-2)31-19-33-25(10-4)27(12-6)35(42-33)21-37-29(15-17-39)28(14-13-16-38)36(43-37)20-34-26(11-5)24(9-3)32(41-34)18-30(22)40-31/h13-14,18-21,41-42H,7-12,15H2,1-6H3/b14-13+,30-18-,31-19-,32-18-,33-19-,34-20-,35-21-,36-20-,37-21-
InChIKey	JUUDJWNSAFLCAI-QONKUQLYSA-N Google Search
Mol Weight	568.8 g/mol
Molecular Formula	C37H40N6
Exact Mass	568.331445 g/mol

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SpectraBase Spectrum ID	JdG1l9tM7tL
Name	3-(3-Cyanomethyl-7,8,12,13,17,18-hexaethyl-22,24-dihydro-porphin-2-yl)-acrylonitrile
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	568.331445312 u
Formula	C37H40N6
InChI	InChI=1S/C37H40N6/c1-7-22-23(8-2)31-19-33-25(10-4)27(12-6)35(42-33)21-37-29(15-17-39)28(14-13-16-38)36(43-37)20-34-26(11-5)24(9-3)32(41-34)18-30(22)40-31/h13-14,18-21,41-42H,7-12,15H2,1-6H3/b14-13+,30-18-,31-19-,32-18-,33-19-,34-20-,35-21-,36-20-,37-21-
InChIKey	JUUDJWNSAFLCAI-QONKUQLYSA-N
Molecular Weight	568.769 g/mol
SMILES	CCC=1C2=CC=3C(CC#N)=C(\C=C\C#N)C(N3)=CC=3NC(C=C4N=C(C=C(C1CC)N2)C(=C4CC)CC)=C(C3CC)CC