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

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

Dimethyl 3,3'-[(3sr-cis)-2-(dimethylcarbamoyl)methyl-3-heptyl-2,7,12,18-tetramethyl-2,3-dihydroporphyrine-13,17-diyl]dipropionate
SpectraBase Compound ID A5yjTlCORwh
InChI InChI=1S/C43H57N5O5/c1-10-11-12-13-14-15-32-38-22-33-26(2)20-29(44-33)21-34-27(3)30(16-18-41(50)52-8)36(45-34)23-37-31(17-19-42(51)53-9)28(4)35(46-37)24-39(47-38)43(32,5)25-40(49)48(6)7/h20-24,32,45,47H,10-19,25H2,1-9H3/b29-21-,37-23-,38-22-,39-24-/t32?,43-/m0/s1
InChIKey WRGPZYNAXZMNFB-QTFHRSDQSA-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 L3uBiQ3PvOO
Name Dimethyl 3,3'-[(3sr-cis)-2-(dimethylcarbamoyl)methyl-3-heptyl-2,7,12,18-tetramethyl-2,3-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/c1-10-11-12-13-14-15-32-38-22-33-26(2)20-29(44-33)21-34-27(3)30(16-18-41(50)52-8)36(45-34)23-37-31(17-19-42(51)53-9)28(4)35(46-37)24-39(47-38)43(32,5)25-40(49)48(6)7/h20-24,32,45,47H,10-19,25H2,1-9H3/b29-21-,37-23-,38-22-,39-24-/t32?,43-/m0/s1
InChIKey WRGPZYNAXZMNFB-QTFHRSDQSA-N
SMILES C=12N=C(C=C3[C@](C(CCCCCCC)C(N3)=CC3=NC(=CC=4NC(C1)=C(C4C)CCC(=O)OC)C=C3C)(CC(N(C)C)=O)C)C(=C2CCC(=O)OC)C