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2-Bromo-1,3,5,8-tetramethyl-4,6-diethyl-7-[2-(methoxycarbonyl)ethyl]porphyrin
SpectraBase Compound ID 3Xcz8UanCcq
InChI InChI=1S/C32H35BrN4O2/c1-8-20-17(4)25-14-30-32(33)19(6)26(37-30)12-23-18(5)22(10-11-31(38)39-7)29(36-23)15-28-21(9-2)16(3)24(34-28)13-27(20)35-25/h12-15,35-36H,8-11H2,1-7H3/b23-12-,24-13-,25-14-,26-12-,27-13-,28-15-,29-15-,30-14-
InChIKey KYXGOJJOVOELBL-DMQUXRTFSA-N
Mol Weight 587.6 g/mol
Molecular Formula C32H35BrN4O2
Exact Mass 586.194339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WJwO6MPXgH
Name 2-Bromo-1,3,5,8-tetramethyl-4,6-diethyl-7-[2-(methoxycarbonyl)ethyl]porphyrin
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Formula C32H35BrN4O2
InChI InChI=1S/C32H35BrN4O2/c1-8-20-17(4)25-14-30-32(33)19(6)26(37-30)12-23-18(5)22(10-11-31(38)39-7)29(36-23)15-28-21(9-2)16(3)24(34-28)13-27(20)35-25/h12-15,35-36H,8-11H2,1-7H3/b23-12-,24-13-,25-14-,26-12-,27-13-,28-15-,29-15-,30-14-
InChIKey KYXGOJJOVOELBL-DMQUXRTFSA-N
Molecular Weight 587.562 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4Br)C)c(c3CC)C)c(c1CC)C)CCC(=O)OC)C
SPLASH splash10-000i-0000090000-adc97dba15808cb8501b
Source of Spectrum HC-11-1389-0
Synonyms Methyl 3-[10-bromo-15,20-diethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoate
Wiley ID 1409041