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Dimethyl 3,3'-[2"-(dimethylcarbamoylmethyl)-3"-ethyl-2",7",12",18"-tetramethyl-2",3"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate

View entire compound with spectra: 1 MS (GC)

Dimethyl 3,3'-[2"-(dimethylcarbamoylmethyl)-3"-ethyl-2",7",12",18"-tetramethyl-2",3"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate
SpectraBase Compound ID BwoniYZwnZ3
InChI InChI=1S/C38H47N5O5/c1-10-27-33-17-28-21(2)15-24(39-28)16-29-22(3)25(11-13-36(45)47-8)31(40-29)18-32-26(12-14-37(46)48-9)23(4)30(41-32)19-34(42-33)38(27,5)20-35(44)43(6)7/h15-19,27,40,42H,10-14,20H2,1-9H3/b24-16-,32-18-,33-17-,34-19-/t27?,38-/m0/s1
InChIKey JYATXMZSDHWCGS-WFHVNZHESA-N
Mol Weight 653.8 g/mol
Molecular Formula C38H47N5O5
Exact Mass 653.35772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IP2htnUrNj
Name Dimethyl 3,3'-[2"-(dimethylcarbamoylmethyl)-3"-ethyl-2",7",12",18"-tetramethyl-2",3"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate
Comments Less than 3 mono-isotopic peaks
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Formula C38H47N5O5
InChI InChI=1S/C38H47N5O5/c1-10-27-33-17-28-21(2)15-24(39-28)16-29-22(3)25(11-13-36(45)47-8)31(40-29)18-32-26(12-14-37(46)48-9)23(4)30(41-32)19-34(42-33)38(27,5)20-35(44)43(6)7/h15-19,27,40,42H,10-14,20H2,1-9H3/b24-16-,32-18-,33-17-,34-19-/t27?,38-/m0/s1
InChIKey JYATXMZSDHWCGS-WFHVNZHESA-N
Molecular Weight 653.824 g/mol
SMILES [nH]1c2[C@](C(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)cc1C)CC)(CC(N(C)C)=O)C
SPLASH splash10-014i-0000092000-d32878ed571db2d974ed
Source of Spectrum U-1995-1030-7
Synonyms Dimethyl 3,3'-[2''-(dimethylcarbamoylmethyl)-3''-ethyl-2'',7'',12'',18''-tetramethyl-2'',3''-dihydro-21H.23H-porphyrin-13'',17''-diyl]-dipropionate
Wiley ID 767017