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2-(2-Carboxyvinyl)-5,10,15,20-tetraphenylporphyrin
SpectraBase Compound ID 9WojfglbFAl
InChI InChI=1S/C47H32N4O2/c52-42(53)28-21-34-29-41-45(32-17-9-3-10-18-32)39-25-24-37(49-39)43(30-13-5-1-6-14-30)35-22-23-36(48-35)44(31-15-7-2-8-16-31)38-26-27-40(50-38)46(47(34)51-41)33-19-11-4-12-20-33/h1-29,48,51H,(H,52,53)/b28-21+,43-35-,43-37-,44-36-,44-38-,45-39-,45-41-,46-40-,47-46-
InChIKey RDKPSZDQESKIMC-ZWGAHPOJSA-N
Mol Weight 684.8 g/mol
Molecular Formula C47H32N4O2
Exact Mass 684.252526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gaGKnH4pfM
Name 2-(2-Carboxyvinyl)-5,10,15,20-tetraphenylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H32N4O2
InChI InChI=1S/C47H32N4O2/c52-42(53)28-21-34-29-41-45(32-17-9-3-10-18-32)39-25-24-37(49-39)43(30-13-5-1-6-14-30)35-22-23-36(48-35)44(31-15-7-2-8-16-31)38-26-27-40(50-38)46(47(34)51-41)33-19-11-4-12-20-33/h1-29,48,51H,(H,52,53)/b28-21+,43-35-,43-37-,44-36-,44-38-,45-39-,45-41-,46-40-,47-46-
InChIKey RDKPSZDQESKIMC-ZWGAHPOJSA-N
Molecular Weight 684.799 g/mol
SMILES [nH]1c2c(\C=C\C(=O)O)cc1c(c1nc(c(c3ccc(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)[nH]3)-c2ccccc2)cc1)-c1ccccc1
SPLASH splash10-000i-0000009000-4ca1fcec9229d4bd2563
Source of Spectrum HC-23-957-0
Synonyms (2E)-3-[2,7,12,17-tetraphenyl-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-undecaen-4-yl]-2-propenoic acid
Wiley ID 1414497