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5-(N-methylformadimino)-3,7,13,17-tetraethyl-2,8,12,18-tetraethyl-21H,23H-porphin
SpectraBase Compound ID A7MfT7wzjJT
InChI InChI=1S/C34H41N5/c1-10-22-18(5)27-14-29-20(7)24(12-3)33(38-29)26(17-35-9)34-25(13-4)21(8)30(39-34)15-28-19(6)23(11-2)32(37-28)16-31(22)36-27/h14-17,36,39H,10-13H2,1-9H3/b27-14-,28-15-,29-14-,30-15-,31-16-,32-16-,33-26-,34-26-,35-17+
InChIKey AVCVDHPDNPHFMD-DVWLAWBOSA-N
Mol Weight 519.7 g/mol
Molecular Formula C34H41N5
Exact Mass 519.336196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Xut36ZQML4
Name 5-(N-methylformadimino)-3,7,13,17-tetraethyl-2,8,12,18-tetraethyl-21H,23H-porphin
Alternate Name(s) 5-(N-methylformaidimino)-3,7,13,17-tetraethyl-2,8,12,18-tetraethyl-21H,23H-porphin N-[(E)-methyl]-N-{(E)-[4,10,14,20-tetraethyl-5,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]methylidene}amine N-{(E)-[4,10,14,20-tetraethyl-5,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]methylidene}methanamine
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Formula C34H41N5
InChI InChI=1S/C34H41N5/c1-10-22-18(5)27-14-29-20(7)24(12-3)33(38-29)26(17-35-9)34-25(13-4)21(8)30(39-34)15-28-19(6)23(11-2)32(37-28)16-31(22)36-27/h14-17,36,39H,10-13H2,1-9H3/b27-14-,28-15-,29-14-,30-15-,31-16-,32-16-,33-26-,34-26-,35-17+
InChIKey AVCVDHPDNPHFMD-DVWLAWBOSA-N
Molecular Weight 519.737 g/mol
SMILES [nH]1c2cc3nc(cc4[nH]c(c(c5nc(cc1c(c2CC)C)c(c5CC)C)\C=N\C)c(c4C)CC)c(c3CC)C
SPLASH splash10-0frl-0000890000-0c2061e471a8c5d3a0a6
Source of Spectrum HC-20-388-0
Wiley ID 1401854