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21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-(1H-imidazol-1-ylmethyl)-
SpectraBase Compound ID HmTq8YQkHNp
InChI InChI=1S/C40H50N6/c1-9-24-26(11-3)35-20-37-28(13-5)30(15-7)39(44-37)32(22-46-18-17-41-23-46)40-31(16-8)29(14-6)38(45-40)21-36-27(12-4)25(10-2)34(43-36)19-33(24)42-35/h17-21,23,42,45H,9-16,22H2,1-8H3/b33-19-,34-19-,35-20-,36-21-,37-20-,38-21-,39-32-,40-32-
InChIKey HYIBYJODRRTKEO-MAKVPPMISA-N
Mol Weight 614.9 g/mol
Molecular Formula C40H50N6
Exact Mass 614.409696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3GPKWiIXmi
Name 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-(1H-imidazol-1-ylmethyl)-
CAS Registry Number 80056-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H50N6
InChI InChI=1S/C40H50N6/c1-9-24-26(11-3)35-20-37-28(13-5)30(15-7)39(44-37)32(22-46-18-17-41-23-46)40-31(16-8)29(14-6)38(45-40)21-36-27(12-4)25(10-2)34(43-36)19-33(24)42-35/h17-21,23,42,45H,9-16,22H2,1-8H3/b33-19-,34-19-,35-20-,36-21-,37-20-,38-21-,39-32-,40-32-
InChIKey HYIBYJODRRTKEO-MAKVPPMISA-N
Molecular Weight 614.882 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(c(c4nc(c2)c(c4CC)CC)C[n]2cncc2)c(c3CC)CC)c(c1CC)CC)CC)CC
SPLASH splash10-0002-0000091000-5587b3568fc24ca3723d
Source of Spectrum KC-1981-2629-0
Synonyms 4,5,9,10,14,15,19,20-octaethyl-2-(1H-imidazol-1-ylmethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene meso-imidazol-1-ylmethyloctaethylporphyrin
Wiley ID 1411235