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15-Hexyl-5-(2,5-dimethoxyphenyl)-10,20-diphenylporphyrin
SpectraBase Compound ID ENONXD8wlXq
InChI InChI=1S/C46H42N4O2/c1-4-5-6-13-18-33-35-20-22-37(47-35)44(30-14-9-7-10-15-30)39-24-26-41(49-39)46(34-29-32(51-2)19-28-43(34)52-3)42-27-25-40(50-42)45(31-16-11-8-12-17-31)38-23-21-36(33)48-38/h7-12,14-17,19-29,47,50H,4-6,13,18H2,1-3H3/b35-33-,36-33-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-
InChIKey QBVDFIZGFUOGJP-FUACUJDCSA-N
Mol Weight 682.9 g/mol
Molecular Formula C46H42N4O2
Exact Mass 682.330777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8u30BcnXvdK
Name 15-Hexyl-5-(2,5-dimethoxyphenyl)-10,20-diphenylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H42N4O2
InChI InChI=1S/C46H42N4O2/c1-4-5-6-13-18-33-35-20-22-37(47-35)44(30-14-9-7-10-15-30)39-24-26-41(49-39)46(34-29-32(51-2)19-28-43(34)52-3)42-27-25-40(50-42)45(31-16-11-8-12-17-31)38-23-21-36(33)48-38/h7-12,14-17,19-29,47,50H,4-6,13,18H2,1-3H3/b35-33-,36-33-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-
InChIKey QBVDFIZGFUOGJP-FUACUJDCSA-N
Molecular Weight 682.868 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2c(ccc(c2)OC)OC)cc3)-c2ccccc2)cc1)CCCCCC
SPLASH splash10-03e9-0001009000-3dc8d082d9d13d4c9e38
Source of Spectrum KC-91-5556-66
Synonyms 2-(2,5-dimethoxyphenyl)-12-hexyl-7,17-diphenyl-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 1629461