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Dimethyl 3,3'-[(7rs,8rs-trans)-7-(dimethylcarbamoyl)methyl-8-heptyl-2,7,12,18-tetramethyl-7,8-dihydroporphyrine-13,17-diyl]dipropionate

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

Dimethyl 3,3'-[(7rs,8rs-trans)-7-(dimethylcarbamoyl)methyl-8-heptyl-2,7,12,18-tetramethyl-7,8-dihydroporphyrine-13,17-diyl]dipropionate
SpectraBase Compound ID I43DUZ88Jgv
InChI InChI=1S/C43H57N5O5/c1-10-11-12-13-14-15-32-38-23-35-28(4)31(17-19-42(51)53-9)37(46-35)24-36-30(16-18-41(50)52-8)27(3)34(45-36)22-33-26(2)20-29(44-33)21-39(47-38)43(32,5)25-40(49)48(6)7/h20-24,32,44,46H,10-19,25H2,1-9H3/b29-21-,33-22-,34-22-,35-23-,36-24-,37-24-,38-23-,39-21-/t32-,43+/m1/s1
InChIKey GXORJZDJXJLSNR-RHEQURCNSA-N
Mol Weight 724.0 g/mol
Molecular Formula C43H57N5O5
Exact Mass 723.43597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLHYa4w18n4
Name Dimethyl 3,3'-[(7rs,8rs-trans)-7-(dimethylcarbamoyl)methyl-8-heptyl-2,7,12,18-tetramethyl-7,8-dihydroporphyrine-13,17-diyl]dipropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 723.435969950 u
Formula C43H57N5O5
InChI InChI=1S/C43H57N5O5/c1-10-11-12-13-14-15-32-38-23-35-28(4)31(17-19-42(51)53-9)37(46-35)24-36-30(16-18-41(50)52-8)27(3)34(45-36)22-33-26(2)20-29(44-33)21-39(47-38)43(32,5)25-40(49)48(6)7/h20-24,32,44,46H,10-19,25H2,1-9H3/b29-21-,33-22-,34-22-,35-23-,36-24-,37-24-,38-23-,39-21-/t32-,43+/m1/s1
InChIKey GXORJZDJXJLSNR-RHEQURCNSA-N
SMILES C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5)C)[C@]([C@@]4(CCCCCCC)[H])(CC(N(C)C)=O)C)C(=C3CCC(=O)OC)C)C(=C1C)CCC(=O)OC