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21H,23H-Porphine, 2-ethenyl-3,7,8,12,13,17,18-heptaethyl-
SpectraBase Compound ID 13YXgC0PyRH
InChI InChI=1S/C36H44N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h9,17-20,37,40H,1,10-16H2,2-8H3/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-
InChIKey XQSYRPVHOAGQCY-MUZKIALCSA-N
Mol Weight 532.8 g/mol
Molecular Formula C36H44N4
Exact Mass 532.356597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DN70qAkzdnC
Name 21H,23H-Porphine, 2-ethenyl-3,7,8,12,13,17,18-heptaethyl-
CAS Registry Number 60017-90-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44N4
InChI InChI=1S/C36H44N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h9,17-20,37,40H,1,10-16H2,2-8H3/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-
InChIKey XQSYRPVHOAGQCY-MUZKIALCSA-N
Molecular Weight 532.776 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CC)CC)c(c3CC)CC)c(c1CC)CC)CC)C=C
SPLASH splash10-001i-0000090000-f54d4917a31042e6f82e
Source of Spectrum KC-1976-800-0
Synonyms 3,7,8,12,13,17,18-Heptaethyl-2-vinylprophyrin 4,5,9,10,14,19,20-heptaethyl-15-vinyl-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
Wiley ID 1403669