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5-[4-(6-Chloro-1,4-dioxahexyl)],10,15,20-tetraphenylporphine

View entire compound with spectra: 1 NMR

5-[4-(6-Chloro-1,4-dioxahexyl)],10,15,20-tetraphenylporphine
SpectraBase Compound ID DPN6nznMW8Z
InChI InChI=1S/C48H37ClN4O2/c49-28-29-54-30-31-55-36-18-16-35(17-19-36)48-43-26-24-41(52-43)46(33-12-6-2-7-13-33)39-22-20-37(50-39)45(32-10-4-1-5-11-32)38-21-23-40(51-38)47(34-14-8-3-9-15-34)42-25-27-44(48)53-42/h1-27,50,53H,28-31H2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKey BODNOSXTKGGPJP-PJEPRTEXSA-N
Mol Weight 737.3 g/mol
Molecular Formula C48H37ClN4O2
Exact Mass 736.260504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPrv2WMoxK2
Name 5-[4-(6-Chloro-1,4-dioxahexyl)],10,15,20-tetraphenylporphine
Comments Computed using HOSE algorithm
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Exact Mass 736.260504145 u
Formula C48H37ClN4O2
InChI InChI=1S/C48H37ClN4O2/c49-28-29-54-30-31-55-36-18-16-35(17-19-36)48-43-26-24-41(52-43)46(33-12-6-2-7-13-33)39-22-20-37(50-39)45(32-10-4-1-5-11-32)38-21-23-40(51-38)47(34-14-8-3-9-15-34)42-25-27-44(48)53-42/h1-27,50,53H,28-31H2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKey BODNOSXTKGGPJP-PJEPRTEXSA-N
Molecular Weight 737.303 g/mol
SMILES C=12N=C(C(=C3NC(=C(C4=NC(=C(C=5NC(C1C1=CC=CC=C1)=CC5)C1=CC=C(C=C1)OCCOCCCl)C=C4)C1=CC=CC=C1)C=C3)C1=CC=CC=C1)C=C2