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5,10,15,20-TETRAPHENYL-25,29-DITHIA-12-AZA-27-CARBASAPPHYRIN

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5,10,15,20-TETRAPHENYL-25,29-DITHIA-12-AZA-27-CARBASAPPHYRIN
SpectraBase Compound ID 7lsioS6wuwN
InChI InChI=1S/C48H31N3S2/c1-5-13-31(14-6-1)45-35-21-22-36(49-35)46(32-15-7-2-8-16-32)38-24-26-40(51-38)48(34-19-11-4-12-20-34)44-30-28-42(53-44)41-27-29-43(52-41)47(33-17-9-3-10-18-33)39-25-23-37(45)50-39/h1-30,49H/b42-41-,45-35-,45-37-,46-36-,46-38-,47-39-,47-43-,48-40-,48-44-
InChIKey SCESZEQQNDDDIE-DJZDSFLOSA-N
Mol Weight 713.9 g/mol
Molecular Formula C48H31N3S2
Exact Mass 713.19594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7vXRF1VK0C
Name 5,10,15,20-TETRAPHENYL-25,29-DITHIA-12-AZA-27-CARBASAPPHYRIN
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H31N3S2
InChI InChI=1S/C48H31N3S2/c1-5-13-31(14-6-1)45-35-21-22-36(49-35)46(32-15-7-2-8-16-32)38-24-26-40(51-38)48(34-19-11-4-12-20-34)44-30-28-42(53-44)41-27-29-43(52-41)47(33-17-9-3-10-18-33)39-25-23-37(45)50-39/h1-30,49H/b42-41-,45-35-,45-37-,46-36-,46-38-,47-39-,47-43-,48-40-,48-44-
InChIKey SCESZEQQNDDDIE-DJZDSFLOSA-N
Literature Reference Author S.K.PUSHPAN,A.SRINIVASAN,V.G.ANAND,S.VENKATRAMAN,T.K.CHANDRA SHEKAR,B.S.JOSHI,R.R
Literature Reference Citation J.AM.CHEM.SOC.,123,5138(2001)
Literature Reference DOI 10.1021/ja010673x
Molecular Weight 713.914 g/mol
Solvent Unknown
Source File Reference UWSI24101