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10,20-bis[3",5"-di(t-butyl)phenyl]-trans-5,15-bis(4'-formylphenyl)porphyrine
SpectraBase Compound ID 5XOMXEQ6pcD
InChI InChI=1S/C62H62N4O2/c1-59(2,3)43-29-41(30-44(33-43)60(4,5)6)57-51-25-23-49(64-51)55(39-17-13-37(35-67)14-18-39)47-21-22-48(63-47)56(40-19-15-38(36-68)16-20-40)50-24-26-52(65-50)58(54-28-27-53(57)66-54)42-31-45(61(7,8)9)34-46(32-42)62(10,11)12/h13-36,63,66H,1-12H3/b55-47-,55-49-,56-48-,56-50-,57-51-,57-53-,58-52-,58-54-
InChIKey GADVVDRJOLSMHD-MEDSXDPUSA-N
Mol Weight 895.2 g/mol
Molecular Formula C62H62N4O2
Exact Mass 894.487277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEtJHc8jqZR
Name 10,20-bis[3",5"-di(t-butyl)phenyl]-trans-5,15-bis(4'-formylphenyl)porphyrine
Alternate Name(s) 4-[7,12-bis(3,5-di-tert-butylphenyl)-17-(4-formylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzaldehyde
CAS Registry Number 124856-10-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C62H62N4O2
InChI InChI=1S/C62H62N4O2/c1-59(2,3)43-29-41(30-44(33-43)60(4,5)6)57-51-25-23-49(64-51)55(39-17-13-37(35-67)14-18-39)47-21-22-48(63-47)56(40-19-15-38(36-68)16-20-40)50-24-26-52(65-50)58(54-28-27-53(57)66-54)42-31-45(61(7,8)9)34-46(32-42)62(10,11)12/h13-36,63,66H,1-12H3/b55-47-,55-49-,56-48-,56-50-,57-51-,57-53-,58-52-,58-54-
InChIKey GADVVDRJOLSMHD-MEDSXDPUSA-N
Molecular Weight 895.204 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc(C(C)(C)C)cc(c2)C(C)(C)C)cc4)-c2ccc(C=O)cc2)cc3)-c2ccc(C=O)cc2)cc1)-c1cc(C(C)(C)C)cc(c1)C(C)(C)C
SPLASH splash10-0a4i-9000000040-8243088ac03b3aec0b44
Source of Spectrum K-123-1355-8
Wiley ID 1418011