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21H,23H-Porphine, 2,7,12,17-tetraheptyl-3,8,13,18-tetramethyl-
SpectraBase Compound ID EvmEBcygopW
InChI InChI=1S/C52H78N4/c1-9-13-17-21-25-29-41-37(5)45-34-50-43(31-27-23-19-15-11-3)39(7)47(55-50)36-52-44(32-28-24-20-16-12-4)40(8)48(56-52)35-51-42(30-26-22-18-14-10-2)38(6)46(54-51)33-49(41)53-45/h33-36,53,56H,9-32H2,1-8H3/b45-34-,46-33-,47-36-,48-35-,49-33-,50-34-,51-35-,52-36-
InChIKey CTFULRMDHSIMFP-QAPDSHJTSA-N
Mol Weight 759.2 g/mol
Molecular Formula C52H78N4
Exact Mass 758.622649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfJrqozWgqy
Name 21H,23H-Porphine, 2,7,12,17-tetraheptyl-3,8,13,18-tetramethyl-
CAS Registry Number 69912-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H78N4
InChI InChI=1S/C52H78N4/c1-9-13-17-21-25-29-41-37(5)45-34-50-43(31-27-23-19-15-11-3)39(7)47(55-50)36-52-44(32-28-24-20-16-12-4)40(8)48(56-52)35-51-42(30-26-22-18-14-10-2)38(6)46(54-51)33-49(41)53-45/h33-36,53,56H,9-32H2,1-8H3/b45-34-,46-33-,47-36-,48-35-,49-33-,50-34-,51-35-,52-36-
InChIKey CTFULRMDHSIMFP-QAPDSHJTSA-N
Molecular Weight 759.224 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C)CCCCCCC)c(c3C)CCCCCCC)c(c1C)CCCCCCC)CCCCCCC)C
SPLASH splash10-0a4i-0000000900-be5872ea924c77e044cf
Source of Spectrum J-44-2079-0
Synonyms 2,4,6,8-Tetra(n-heptyl)-1,3,5,7-tetramethylporphyrin 4,9,14,19-tetraheptyl-5,10,15,20-tetramethyl-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 1416498