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9,18-Di-tert-butyl-13,14-diethyl-8,19-dimethyloxybenziporphyrin
SpectraBase Compound ID 1S5qih6PR7M
InChI InChI=1S/C36H43N3O/c1-11-24-25(12-2)29-19-31-34(36(8,9)10)21(4)27(38-31)17-23-15-22(13-14-32(23)40)16-26-20(3)33(35(5,6)7)30(37-26)18-28(24)39-29/h13-19,37-38H,11-12H2,1-10H3/b22-16-,23-17+,26-16-,27-17-,28-18-,29-19-,30-18-,31-19-
InChIKey FNTIKQOPKFVCAC-WKZXLYEXSA-N
Mol Weight 533.8 g/mol
Molecular Formula C36H43N3O
Exact Mass 533.340613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 308pC6phgXF
Name 9,18-Di-tert-butyl-13,14-diethyl-8,19-dimethyloxybenziporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H43N3O
InChI InChI=1S/C36H43N3O/c1-11-24-25(12-2)29-19-31-34(36(8,9)10)21(4)27(38-31)17-23-15-22(13-14-32(23)40)16-26-20(3)33(35(5,6)7)30(37-26)18-28(24)39-29/h13-19,37-38H,11-12H2,1-10H3/b22-16-,23-17+,26-16-,27-17-,28-18-,29-19-,30-18-,31-19-
InChIKey FNTIKQOPKFVCAC-WKZXLYEXSA-N
Molecular Weight 533.760 g/mol
SMILES N1\C=2C(=C(\C1=C/C1=C\C(=C/c3[nH]c(\C=C\4N=C(C\2)C(=C4CC)CC)c(c3C)C(C)(C)C)C(C=C1)=O)C)C(C)(C)C
SPLASH splash10-001i-0000090000-05166a05009511c78061
Source of Spectrum F-68-3901-13
Wiley ID 1572522