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21H,23H-Porphine-5-carboxaldehyde, 2,7,12,17-tetramethyl-3,8,13,18-tetrapentyl-
SpectraBase Compound ID IKjVdhCF9td
InChI InChI=1S/C45H62N4O/c1-9-13-17-21-33-30(6)39-26-43-35(23-19-15-11-3)32(8)44(49-43)37(28-50)45-36(24-20-16-12-4)31(7)40(48-45)27-42-34(22-18-14-10-2)29(5)38(46-42)25-41(33)47-39/h25-28,47-48H,9-24H2,1-8H3/b38-25-,39-26-,40-27-,41-25-,42-27-,43-26-,44-37-,45-37-
InChIKey NDLXOGYDAXFWLJ-AAABSLDFSA-N
Mol Weight 675.0 g/mol
Molecular Formula C45H62N4O
Exact Mass 674.492363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWvcDl26m1f
Name 21H,23H-Porphine-5-carboxaldehyde, 2,7,12,17-tetramethyl-3,8,13,18-tetrapentyl-
CAS Registry Number 69928-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H62N4O
InChI InChI=1S/C45H62N4O/c1-9-13-17-21-33-30(6)39-26-43-35(23-19-15-11-3)32(8)44(49-43)37(28-50)45-36(24-20-16-12-4)31(7)40(48-45)27-42-34(22-18-14-10-2)29(5)38(46-42)25-41(33)47-39/h25-28,47-48H,9-24H2,1-8H3/b38-25-,39-26-,40-27-,41-25-,42-27-,43-26-,44-37-,45-37-
InChIKey NDLXOGYDAXFWLJ-AAABSLDFSA-N
Molecular Weight 675.018 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2C=O)c(c4CCCCC)C)c(c3CCCCC)C)c(c1CCCCC)C)C)CCCCC
SPLASH splash10-0002-0000019000-ad9bc86196467e0d482a
Source of Spectrum J-44-2080-0
Synonyms (.alpha.-(hydroxymethyl)-1,3,5,7-tetramethyl-2,4,6,8-tetra(n-pentyl)porphyrin 5,10,15,20-tetramethyl-4,9,14,19-tetrapentyl-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-2-carbaldehyde
Wiley ID 1414113