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2,18-Porphinedipropanol, 7,12-diethyl-3,8,13,17-tetramethyl-

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2,18-Porphinedipropanol, 7,12-diethyl-3,8,13,17-tetramethyl-
SpectraBase Compound ID GWHG30XRmes
InChI InChI=1S/C34H42N4O2/c1-7-23-19(3)27-15-28-21(5)25(11-9-13-39)33(37-28)18-34-26(12-10-14-40)22(6)30(38-34)17-32-24(8-2)20(4)29(36-32)16-31(23)35-27/h15-18,35,38-40H,7-14H2,1-6H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
InChIKey KMDFSBZXPSKZOR-MFBGAUBSSA-N
Mol Weight 538.7 g/mol
Molecular Formula C34H42N4O2
Exact Mass 538.330777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0OXSMeNjuc
Name 2,18-Porphinedipropanol, 7,12-diethyl-3,8,13,17-tetramethyl-
Comments Computed using HOSE algorithm
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Exact Mass 538.330776606 u
Formula C34H42N4O2
InChI InChI=1S/C34H42N4O2/c1-7-23-19(3)27-15-28-21(5)25(11-9-13-39)33(37-28)18-34-26(12-10-14-40)22(6)30(38-34)17-32-24(8-2)20(4)29(36-32)16-31(23)35-27/h15-18,35,38-40H,7-14H2,1-6H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
InChIKey KMDFSBZXPSKZOR-MFBGAUBSSA-N
Molecular Weight 538.736 g/mol
SMILES C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CC)C)C(=C4CC)C)C(=C3CCCO)C)C(=C1C)CCCO