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6,7-Bis(3-cyanopropyl)-1,3,5,8-tetramethyl-2,4-divinylporphyrin
SpectraBase Compound ID 4kWf0j9fBtE
InChI InChI=1S/C36H36N6/c1-7-25-21(3)29-17-30-23(5)27(13-9-11-15-37)35(41-30)20-36-28(14-10-12-16-38)24(6)32(42-36)19-34-26(8-2)22(4)31(40-34)18-33(25)39-29/h7-8,17-20,39,42H,1-2,9-14H2,3-6H3/b29-17-,30-17-,31-18-,32-19-,33-18-,34-19-,35-20-,36-20-
InChIKey GYYHNRAHKVVENQ-LHPWBCDESA-N
Mol Weight 552.7 g/mol
Molecular Formula C36H36N6
Exact Mass 552.300145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YBEaaRolEB
Name 6,7-Bis(3-cyanopropyl)-1,3,5,8-tetramethyl-2,4-divinylporphyrin
CAS Registry Number 76915-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36N6
InChI InChI=1S/C36H36N6/c1-7-25-21(3)29-17-30-23(5)27(13-9-11-15-37)35(41-30)20-36-28(14-10-12-16-38)24(6)32(42-36)19-34-26(8-2)22(4)31(40-34)18-33(25)39-29/h7-8,17-20,39,42H,1-2,9-14H2,3-6H3/b29-17-,30-17-,31-18-,32-19-,33-18-,34-19-,35-20-,36-20-
InChIKey GYYHNRAHKVVENQ-LHPWBCDESA-N
Molecular Weight 552.726 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C)C=C)c(c3C)C=C)c(c1CCCC#N)C)CCCC#N)C
SPLASH splash10-0udi-0000390000-d2469207d498b5a368af
Source of Spectrum J-46-2192-0
Synonyms 4-[20-(3-cyanopropyl)-5,10,15,19-tetramethyl-9,14-divinyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]butanenitrile
Wiley ID 1406025