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12,13-Diethyl-5,10,15,20-tetraphenylchlorin
SpectraBase Compound ID Cf7VQso8qSm
InChI InChI=1S/C48H40N4/c1-3-35-36(4-2)48-46(34-23-15-8-16-24-34)42-30-28-40(51-42)44(32-19-11-6-12-20-32)38-26-25-37(49-38)43(31-17-9-5-10-18-31)39-27-29-41(50-39)45(47(35)52-48)33-21-13-7-14-22-33/h5-24,27-30,50-51H,3-4,25-26H2,1-2H3/b43-37-,43-39-,44-38-,44-40-,45-41-,46-42-,47-45-,48-46-
InChIKey HADTUUKNFKWSRN-CTAIZXMJSA-N
Mol Weight 672.9 g/mol
Molecular Formula C48H40N4
Exact Mass 672.325297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRfO8PDJZun
Name 12,13-Diethyl-5,10,15,20-tetraphenylchlorin
Comments Less than 3 mono-isotopic peaks
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Formula C48H40N4
InChI InChI=1S/C48H40N4/c1-3-35-36(4-2)48-46(34-23-15-8-16-24-34)42-30-28-40(51-42)44(32-19-11-6-12-20-32)38-26-25-37(49-38)43(31-17-9-5-10-18-31)39-27-29-41(50-39)45(47(35)52-48)33-21-13-7-14-22-33/h5-24,27-30,50-51H,3-4,25-26H2,1-2H3/b43-37-,43-39-,44-38-,44-40-,45-41-,46-42-,47-45-,48-46-
InChIKey HADTUUKNFKWSRN-CTAIZXMJSA-N
Molecular Weight 672.876 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)c(c4CC)CC)-c2ccccc2)cc3)-c2ccccc2)CC1)-c1ccccc1
SPLASH splash10-00di-0000009000-f255081c6d2d7e570e8f
Source of Spectrum F-54-3790-16
Synonyms 9,10-diethyl-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)-decaene
Wiley ID 806401