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5,20-Dihexyl-7,8-dihydroxy-10,15-bis-(4-methoxycarbonylphenyl)-7,8-chlorin
SpectraBase Compound ID LJn4BVULzCo
InChI InChI=1S/C48H52N4O6/c1-5-7-9-11-13-33-35-23-24-37(49-35)34(14-12-10-8-6-2)43-45(53)46(54)44(52-43)42(30-17-21-32(22-18-30)48(56)58-4)40-28-27-39(51-40)41(38-26-25-36(33)50-38)29-15-19-31(20-16-29)47(55)57-3/h15-28,45-46,49,51,53-54H,5-14H2,1-4H3/b35-33-,36-33-,37-34-,41-38-,41-39-,42-40-,43-34-,44-42-/t45-,46+/m1/s1
InChIKey RANLCPGAQIMTGT-UPBAYZGFSA-N
Mol Weight 781.0 g/mol
Molecular Formula C48H52N4O6
Exact Mass 780.388685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARVjO0uvv1g
Name 5,20-Dihexyl-7,8-dihydroxy-10,15-bis-(4-methoxycarbonylphenyl)-7,8-chlorin
Appearance Violet microcrystalline solid
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Formula C48H52N4O6
InChI InChI=1S/C48H52N4O6/c1-5-7-9-11-13-33-35-23-24-37(49-35)34(14-12-10-8-6-2)43-45(53)46(54)44(52-43)42(30-17-21-32(22-18-30)48(56)58-4)40-28-27-39(51-40)41(38-26-25-36(33)50-38)29-15-19-31(20-16-29)47(55)57-3/h15-28,45-46,49,51,53-54H,5-14H2,1-4H3/b35-33-,36-33-,37-34-,41-38-,41-39-,42-40-,43-34-,44-42-/t45-,46+/m1/s1
InChIKey RANLCPGAQIMTGT-UPBAYZGFSA-N
Ionization Type EI
Reported Formula C48H52N4O6
SMILES [nH]1c2ccc1c(c1nc(c(c3ccc(c(c4[C@]([C@](c(c2-c2ccc(cc2)C(=O)OC)n4)(O)[H])(O)[H])CCCCCC)[nH]3)CCCCCC)cc1)-c1ccc(cc1)C(=O)OC
SPLASH splash10-01td-0001009700-ddee554ed07dcf24347b
Source of Spectrum US9315510B2
Wiley ID 1851021