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21H,23H-Porphin-5-amine, 2,3,7,8,12,13,17,18-octaethyl-
SpectraBase Compound ID AfvE9dH31oq
InChI InChI=1S/C36H47N5/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)35(40-32)34(37)36-27(16-8)25(14-6)33(41-36)19-31-23(12-4)21(10-2)29(39-31)17-28(20)38-30/h17-19,38,41H,9-16,37H2,1-8H3/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,35-34+,36-34+
InChIKey JPCUFOHVSVCPGE-WMUZRJHQSA-N
Mol Weight 549.8 g/mol
Molecular Formula C36H47N5
Exact Mass 549.383147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImGKqu1Vy3M
Name 21H,23H-Porphin-5-amine, 2,3,7,8,12,13,17,18-octaethyl-
Comments Computed using HOSE algorithm
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Exact Mass 549.383146533 u
Formula C36H47N5
InChI InChI=1S/C36H47N5/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)35(40-32)34(37)36-27(16-8)25(14-6)33(41-36)19-31-23(12-4)21(10-2)29(39-31)17-28(20)38-30/h17-19,38,41H,9-16,37H2,1-8H3/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,35-34+,36-34+
InChIKey JPCUFOHVSVCPGE-WMUZRJHQSA-N
Molecular Weight 549.807 g/mol
SMILES C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2N)=C(C5CC)CC)C(=C4CC)CC)C(=C3CC)CC)C(=C1CC)CC