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3,3,7,8,12,13,17,18-Octaethyl-2-hydroxychlorin
SpectraBase Compound ID EFCPBToXkYA
InChI InChI=1S/C36H48N4O/c1-9-21-22(10-2)28-18-30-25(13-5)26(14-6)32(39-30)20-34-36(15-7,16-8)35(41)33(40-34)19-31-24(12-4)23(11-3)29(38-31)17-27(21)37-28/h17-20,35,37,40-41H,9-16H2,1-8H3/b29-17-,30-18-,33-19-,34-20-
InChIKey YLOCXIJAXJKLEH-AHSXOTGCSA-N
Mol Weight 552.8 g/mol
Molecular Formula C36H48N4O
Exact Mass 552.382812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56BJ5e3NpLJ
Name 3,3,7,8,12,13,17,18-Octaethyl-2-hydroxychlorin
Alternate Name(s) 3,3,7,8,12,13,17,18-Octaethyl-2-hydroxychorin 5,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(21),2,6,8(23),9,11,13,15,17,19-decaen-4-ol
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Formula C36H48N4O
InChI InChI=1S/C36H48N4O/c1-9-21-22(10-2)28-18-30-25(13-5)26(14-6)32(39-30)20-34-36(15-7,16-8)35(41)33(40-34)19-31-24(12-4)23(11-3)29(38-31)17-27(21)37-28/h17-20,35,37,40-41H,9-16H2,1-8H3/b29-17-,30-18-,33-19-,34-20-
InChIKey YLOCXIJAXJKLEH-AHSXOTGCSA-N
Molecular Weight 552.807 g/mol
SMILES [nH]1c2cc3nc(cc4c(c(c(cc5nc(cc1C(C2O)(CC)CC)c(c5CC)CC)[nH]4)CC)CC)c(c3CC)CC
SPLASH splash10-0f8i-0000090000-56813841f603982d03b8
Source of Spectrum KC-1992-1469-6
Wiley ID 776544