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5,15-Bis(3-methoxyphenyl)-10-pentyl-20-phenylporphyrin
SpectraBase Compound ID FJI9muWtcS8
InChI InChI=1S/C45H40N4O2/c1-4-5-7-18-34-35-19-21-39(46-35)44(30-14-10-16-32(27-30)50-2)41-25-23-37(48-41)43(29-12-8-6-9-13-29)38-24-26-42(49-38)45(40-22-20-36(34)47-40)31-15-11-17-33(28-31)51-3/h6,8-17,19-28,46,49H,4-5,7,18H2,1-3H3/b35-34-,36-34-,43-37-,43-38-,44-39-,44-41-,45-40-,45-42-
InChIKey KEZRYWNUMMRVGU-YNHAILHXSA-N
Mol Weight 668.8 g/mol
Molecular Formula C45H40N4O2
Exact Mass 668.315127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6RN5bVwDPS
Name 5,15-Bis(3-methoxyphenyl)-10-pentyl-20-phenylporphyrin
Comments Less than 3 mono-isotopic peaks
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Formula C45H40N4O2
InChI InChI=1S/C45H40N4O2/c1-4-5-7-18-34-35-19-21-39(46-35)44(30-14-10-16-32(27-30)50-2)41-25-23-37(48-41)43(29-12-8-6-9-13-29)38-24-26-42(49-38)45(40-22-20-36(34)47-40)31-15-11-17-33(28-31)51-3/h6,8-17,19-28,46,49H,4-5,7,18H2,1-3H3/b35-34-,36-34-,43-37-,43-38-,44-39-,44-41-,45-40-,45-42-
InChIKey KEZRYWNUMMRVGU-YNHAILHXSA-N
Molecular Weight 668.841 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc(OC)ccc2)cc4)CCCCC)cc3)-c2cc(OC)ccc2)cc1)-c1ccccc1
SPLASH splash10-001i-0009004000-0f92e2ccb9ec55b2e400
Source of Spectrum O1-65-2448-14
Synonyms 2,12-bis(3-methoxyphenyl)-17-pentyl-7-phenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Wiley ID 1593252