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21H,23H-Porphine-21-(1-Methoxy carbonyl ethyl)- .alpha.-methyl-5,10,15,20-tetraphenyl-, methyl ester
SpectraBase Compound ID 7btZNHHtYW
InChI InChI=1S/C48H36N4O2/c1-31(48(53)54-2)52-42-29-30-43(52)47(35-21-13-6-14-22-35)41-28-26-39(51-41)45(33-17-9-4-10-18-33)37-24-23-36(49-37)44(32-15-7-3-8-16-32)38-25-27-40(50-38)46(42)34-19-11-5-12-20-34/h3-31,49H,1-2H3/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,47-43-
InChIKey WDTVFIQHKQCDPT-BGNZNHADSA-N
Mol Weight 700.8 g/mol
Molecular Formula C48H36N4O2
Exact Mass 700.283826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeOfXMbg7Zm
Name 21H,23H-Porphine-21-(1-Methoxy carbonyl ethyl)- .alpha.-methyl-5,10,15,20-tetraphenyl-, methyl ester
Alternate Name(s) 21-(1-Methoxy carbonyl ethyl)-.alpha.,.beta.,.delta.,.gamma.-tetrapheny porphyrine
CAS Registry Number 69813-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H36N4O2
InChI InChI=1S/C48H36N4O2/c1-31(48(53)54-2)52-42-29-30-43(52)47(35-21-13-6-14-22-35)41-28-26-39(51-41)45(33-17-9-4-10-18-33)37-24-23-36(49-37)44(32-15-7-3-8-16-32)38-25-27-40(50-38)46(42)34-19-11-5-12-20-34/h3-31,49H,1-2H3/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,47-43-
InChIKey WDTVFIQHKQCDPT-BGNZNHADSA-N
Molecular Weight 700.842 g/mol
SMILES N1\C2=C/(C3=N\C(=C/(c4[n](c(\C(=C\5N=C(\C(=C/1C=C2)c1ccccc1)C=C5)c1ccccc1)cc4)C(C(=O)OC)C)c1ccccc1)C=C3)c1ccccc1
SPLASH splash10-03di-0000009100-994bd25b196fb9f5ddef
Source of Spectrum F-34-2299-0
Wiley ID 1415061