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2,3,10,11,16,17,24,25-Octaethyl-5,6,7,8,19,20,21,22-octadehydro[26]porphyrin(2.4.2.4)
SpectraBase Compound ID Ih61MW7SJYb
InChI InChI=1S/C44H46N4/c1-9-29-33(13-5)41-25-26-42-34(14-6)30(10-2)39(46-42)23-19-20-24-40-32(12-4)36(16-8)44(48-40)28-27-43-35(15-7)31(11-3)38(47-43)22-18-17-21-37(29)45-41/h25-28,45,48H,9-16H2,1-8H3/b26-25-,28-27-,41-25-,42-26-,43-27-,44-28-
InChIKey HRNHDEUQIFYLJO-BNQOOAHASA-N
Mol Weight 630.9 g/mol
Molecular Formula C44H46N4
Exact Mass 630.372247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5S6okMsMAO2
Name 2,3,10,11,16,17,24,25-Octaethyl-5,6,7,8,19,20,21,22-octadehydro[26]porphyrin(2.4.2.4)
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H46N4
InChI InChI=1S/C44H46N4/c1-9-29-33(13-5)41-25-26-42-34(14-6)30(10-2)39(46-42)23-19-20-24-40-32(12-4)36(16-8)44(48-40)28-27-43-35(15-7)31(11-3)38(47-43)22-18-17-21-37(29)45-41/h25-28,45,48H,9-16H2,1-8H3/b26-25-,28-27-,41-25-,42-26-,43-27-,44-28-
InChIKey HRNHDEUQIFYLJO-BNQOOAHASA-N
Molecular Weight 630.880 g/mol
SMILES [nH]1c2c(c(c1C#CC#CC=1C(=C(\C(=C\C=C/3N\C(=C=C=C=C=C\4N=C(\C=C/2)C(=C4CC)CC)C(=C3CC)CC)N1)CC)CC)CC)CC
SPLASH splash10-001i-0000009000-36b31a711f0c3380dad1
Source of Spectrum C-114-9977-8
Wiley ID 1412132