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10-[2-(2,5-Dibromothien-3-yl)vinyl]-5,15-diphenylporphyrin
SpectraBase Compound ID Ly4hmmnlAPQ
InChI InChI=1S/C38H24Br2N4S/c39-35-21-25(38(40)45-35)11-14-28-29-17-19-33(43-29)36(23-7-3-1-4-8-23)31-15-12-26(41-31)22-27-13-16-32(42-27)37(24-9-5-2-6-10-24)34-20-18-30(28)44-34/h1-22,41,44H/b14-11+,26-22-,27-22-,29-28-,30-28-,36-31-,36-33-,37-32-,37-34-
InChIKey IOCCAZACVNMANH-DGCZLNHXSA-N
Mol Weight 728.5 g/mol
Molecular Formula C38H24Br2N4S
Exact Mass 726.008844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pSZsFwv5VA
Name 10-[2-(2,5-Dibromothien-3-yl)vinyl]-5,15-diphenylporphyrin
Comments Less than 3 mono-isotopic peaks
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Formula C38H24Br2N4S
InChI InChI=1S/C38H24Br2N4S/c39-35-21-25(38(40)45-35)11-14-28-29-17-19-33(43-29)36(23-7-3-1-4-8-23)31-15-12-26(41-31)22-27-13-16-32(42-27)37(24-9-5-2-6-10-24)34-20-18-30(28)44-34/h1-22,41,44H/b14-11+,26-22-,27-22-,29-28-,30-28-,36-31-,36-33-,37-32-,37-34-
InChIKey IOCCAZACVNMANH-DGCZLNHXSA-N
Molecular Weight 728.506 g/mol
SMILES [nH]1c2c(c3nc(c(c4ccc(cc5nc(c(c1cc2)-c1ccccc1)cc5)[nH]4)-c1ccccc1)cc3)\C=C\c1c(sc(c1)Br)Br
SPLASH splash10-004i-0000000900-f01156ecb1d2c96cc6d6
Source of Spectrum U1-2010-4434-23
Wiley ID 1664274