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5-(3,5-Dimethoxyphenyl)-15-hexyl-10,20-diiodoporphyrin
SpectraBase Compound ID 8Sx7gcO0XwP
InChI InChI=1S/C34H32I2N4O2/c1-4-5-6-7-8-23-24-9-13-28(37-24)33(35)30-15-11-26(39-30)32(20-17-21(41-2)19-22(18-20)42-3)27-12-16-31(40-27)34(36)29-14-10-25(23)38-29/h9-19,37,40H,4-8H2,1-3H3/b24-23-,25-23-,32-26-,32-27-,33-28+,33-30+,34-29+,34-31+
InChIKey KIQBOICROIYZIG-MVNMMQJDSA-N
Mol Weight 782.5 g/mol
Molecular Formula C34H32I2N4O2
Exact Mass 782.061466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wK9YymOnbS
Name 5-(3,5-Dimethoxyphenyl)-15-hexyl-10,20-diiodoporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32I2N4O2
InChI InChI=1S/C34H32I2N4O2/c1-4-5-6-7-8-23-24-9-13-28(37-24)33(35)30-15-11-26(39-30)32(20-17-21(41-2)19-22(18-20)42-3)27-12-16-31(40-27)34(36)29-14-10-25(23)38-29/h9-19,37,40H,4-8H2,1-3H3/b24-23-,25-23-,32-26-,32-27-,33-28+,33-30+,34-29+,34-31+
InChIKey KIQBOICROIYZIG-MVNMMQJDSA-N
Molecular Weight 782.465 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc(OC)cc(c2)OC)cc4)I)cc3)CCCCCC)cc1)I
SPLASH splash10-053r-0000590000-8c889e9bffe78b6d2100
Source of Spectrum KC-61-5559-77
Synonyms 2-(3,5-dimethoxyphenyl)-12-hexyl-7,17-diiodo-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 1629554