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2-Vinyl-4-formyl-6,7-bis-(2-methoxy carbonylethyl)-1,3,5,8-tetra-methylporphin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Vinyl-4-formyl-6,7-bis-(2-methoxy carbonylethyl)-1,3,5,8-tetra-methylporphin
SpectraBase Compound ID FHOOq7aHmKq
InChI InChI=1S/C35H36N4O5/c1-8-22-18(2)26-13-27-19(3)23(9-11-34(41)43-6)31(37-27)16-32-24(10-12-35(42)44-7)20(4)28(38-32)15-33-25(17-40)21(5)29(39-33)14-30(22)36-26/h8,13-17,37,39H,1,9-12H2,2-7H3/b26-13-,27-13-,28-15-,29-14-,30-14-,31-16-,32-16-,33-15-
InChIKey UNABVJTYXHEOCV-NBLLDXTRSA-N
Mol Weight 592.7 g/mol
Molecular Formula C35H36N4O5
Exact Mass 592.26857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BD9yMiPt75K
Name 2-Vinyl-4-formyl-6,7-bis-(2-methoxy carbonylethyl)-1,3,5,8-tetra-methylporphin
Comments Computed using HOSE algorithm
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Exact Mass 592.268570270 u
Formula C35H36N4O5
InChI InChI=1S/C35H36N4O5/c1-8-22-18(2)26-13-27-19(3)23(9-11-34(41)43-6)31(37-27)16-32-24(10-12-35(42)44-7)20(4)28(38-32)15-33-25(17-40)21(5)29(39-33)14-30(22)36-26/h8,13-17,37,39H,1,9-12H2,2-7H3/b26-13-,27-13-,28-15-,29-14-,30-14-,31-16-,32-16-,33-15-
InChIKey UNABVJTYXHEOCV-NBLLDXTRSA-N
Molecular Weight 592.696 g/mol
SMILES C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C=O)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C(=C1C=C)C