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8-[(E)-t-Butoxtcarbonylpropenyl]-2,712,18-tetramethyl-21H,23Hporphine-13,17-dipropyl dimethyl ester
SpectraBase Compound ID 7utWIpzGGhO
InChI InChI=1S/C39H44N4O6/c1-21-16-25-17-30-22(2)28(12-15-38(46)49-39(5,6)7)33(41-30)19-32-24(4)27(11-14-37(45)48-9)35(43-32)20-34-26(10-13-36(44)47-8)23(3)31(42-34)18-29(21)40-25/h12,15-20,40,43H,10-11,13-14H2,1-9H3/b15-12+,25-17-,29-18-,30-17-,31-18-,32-19-,33-19-,34-20-,35-20-
InChIKey GDKWATFOEFGWJA-SGDQIHLYSA-N
Mol Weight 664.8 g/mol
Molecular Formula C39H44N4O6
Exact Mass 664.326085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuSKPjJ1x5b
Name 8-[(E)-t-Butoxtcarbonylpropenyl]-2,712,18-tetramethyl-21H,23Hporphine-13,17-dipropyl dimethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C39H44N4O6
InChI InChI=1S/C39H44N4O6/c1-21-16-25-17-30-22(2)28(12-15-38(46)49-39(5,6)7)33(41-30)19-32-24(4)27(11-14-37(45)48-9)35(43-32)20-34-26(10-13-36(44)47-8)23(3)31(42-34)18-29(21)40-25/h12,15-20,40,43H,10-11,13-14H2,1-9H3/b15-12+,25-17-,29-18-,30-17-,31-18-,32-19-,33-19-,34-20-,35-20-
InChIKey GDKWATFOEFGWJA-SGDQIHLYSA-N
Molecular Weight 664.803 g/mol
SMILES [nH]1c2cc(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4\C=C\C(OC(C)(C)C)=O)C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C
SPLASH splash10-0006-9000000000-66695c1a5bb1e3aa7225
Source of Spectrum AT-32-3479-3f
Synonyms 8-[(E)-t-Butoxycarbonylpropenyl]-2,7,12,18-tetramethyl-21H,23H-porphyrin-13,17-dipropyl dimethyl ester
Wiley ID 836013