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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ad7igrQ9ABz
Name Dimethyl 3,3'-[(7RS,8RS-trans)-7-(dimethylcarbamoyl)methyl-8-heptyl-2,7,12,18-tetramethyl-7,8-dihydroporphyrine-13,17-diyl]dipropionate
CAS Registry Number 138608-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 723.959 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C)CCC(=O)OC)c(c3)C)[C@]([C@@]1(CCCCCCC)[H])(CC(N(C)C)=O)C)C)CCC(=O)OC
SPLASH splash10-000i-0000009100-cacdeb10f028a8beaf70
Source of Spectrum U-1992-335-0
Wiley ID 764019