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10-Hexyl-5,15-bis(4-butyloxyphenyl)porphyrin
SpectraBase Compound ID 3PE0xaqt4ku
InChI InChI=1S/C46H50N4O2/c1-4-7-10-11-12-38-39-25-27-43(49-39)45(32-13-19-36(20-14-32)51-29-8-5-2)41-23-17-34(47-41)31-35-18-24-42(48-35)46(44-28-26-40(38)50-44)33-15-21-37(22-16-33)52-30-9-6-3/h13-28,31,47,50H,4-12,29-30H2,1-3H3/b34-31-,35-31-,39-38-,40-38-,45-41-,45-43-,46-42-,46-44-
InChIKey VYQRZTHCJCMAOT-BXGWIIOUSA-N
Mol Weight 690.9 g/mol
Molecular Formula C46H50N4O2
Exact Mass 690.393377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KimjUYLxfRs
Name 10-Hexyl-5,15-bis(4-butyloxyphenyl)porphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H50N4O2
InChI InChI=1S/C46H50N4O2/c1-4-7-10-11-12-38-39-25-27-43(49-39)45(32-13-19-36(20-14-32)51-29-8-5-2)41-23-17-34(47-41)31-35-18-24-42(48-35)46(44-28-26-40(38)50-44)33-15-21-37(22-16-33)52-30-9-6-3/h13-28,31,47,50H,4-12,29-30H2,1-3H3/b34-31-,35-31-,39-38-,40-38-,45-41-,45-43-,46-42-,46-44-
InChIKey VYQRZTHCJCMAOT-BXGWIIOUSA-N
Molecular Weight 690.932 g/mol
SMILES [nH]1c2c(c3nc(c(c4ccc(cc5nc(c(c1cc2)-c1ccc(cc1)OCCCC)cc5)[nH]4)-c1ccc(cc1)OCCCC)cc3)CCCCCC
SPLASH splash10-014l-0000009000-329b1bd4bd48fc488463
Source of Spectrum KC-91-5548-33
Synonyms 2,12-bis(4-butoxyphenyl)-17-hexyl-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 1629484