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5-Aza-isospirographisporphyrine - dimethyl ester
SpectraBase Compound ID L6xbmzBn02s
InChI InChI=1S/C34H35N5O5/c1-8-21-17(2)27-13-25-18(3)22(9-11-31(41)43-6)28(35-25)15-29-23(10-12-32(42)44-7)19(4)26(36-29)14-30-24(16-40)20(5)33(38-30)39-34(21)37-27/h8,13-16,35H,1,9-12H2,2-7H3,(H,37,38,39)
InChIKey WNNRYSQSMQXOOQ-UHFFFAOYSA-N
Mol Weight 593.7 g/mol
Molecular Formula C34H35N5O5
Exact Mass 593.263819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0N87ap3rek
Name 5-Aza-isospirographisporphyrine - dimethyl ester
Alternate Name(s) Azaspirographis porphyrin-7-carbaldehyde [2,7,12,18-tetrmethyl-3-(ethenyl)-8-formyl-13,17-bis(2-methoxycarbonylethyl)-22H,24H-porphine] Dimethyl 3,3'-[8-formyl-2,7,12,18-tetramethyl-3-vinyl-21H,23H-5-azaporphyrine-13',17-diyl]dipropionate
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Formula C34H35N5O5
InChI InChI=1S/C34H35N5O5/c1-8-21-17(2)27-13-25-18(3)22(9-11-31(41)43-6)28(35-25)15-29-23(10-12-32(42)44-7)19(4)26(36-29)14-30-24(16-40)20(5)33(38-30)39-34(21)37-27/h8,13-16,35H,1,9-12H2,2-7H3,(H,37,38,39)
InChIKey WNNRYSQSMQXOOQ-UHFFFAOYSA-N
Molecular Weight 593.684 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(n2)c(c4C)C=C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C=O)C
SPLASH splash10-0006-0000090000-7945adb29df98ac6bb97
Source of Spectrum AT-34-6370-2
Wiley ID 852619