For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
21H,23H-Porphine, 2,7,12,17-tetramethyl-3,8,13,18-tetrapentyl-
SpectraBase Compound ID A25gnYBxKlt
InChI InChI=1S/C44H62N4/c1-9-13-17-21-33-29(5)37-26-42-35(23-19-15-11-3)31(7)39(47-42)28-44-36(24-20-16-12-4)32(8)40(48-44)27-43-34(22-18-14-10-2)30(6)38(46-43)25-41(33)45-37/h25-28,45,48H,9-24H2,1-8H3/b37-26-,38-25-,39-28-,40-27-,41-25-,42-26-,43-27-,44-28-
InChIKey MJNNRVLOSZZORQ-QCIIPYJNSA-N
Mol Weight 647.0 g/mol
Molecular Formula C44H62N4
Exact Mass 646.497448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6Hl5cNxztn5
Name 21H,23H-Porphine, 2,7,12,17-tetramethyl-3,8,13,18-tetrapentyl-
CAS Registry Number 69912-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H62N4
InChI InChI=1S/C44H62N4/c1-9-13-17-21-33-29(5)37-26-42-35(23-19-15-11-3)31(7)39(47-42)28-44-36(24-20-16-12-4)32(8)40(48-44)27-43-34(22-18-14-10-2)30(6)38(46-43)25-41(33)45-37/h25-28,45,48H,9-24H2,1-8H3/b37-26-,38-25-,39-28-,40-27-,41-25-,42-26-,43-27-,44-28-
InChIKey MJNNRVLOSZZORQ-QCIIPYJNSA-N
Molecular Weight 647.008 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C)CCCCC)c(c3C)CCCCC)c(c1C)CCCCC)CCCCC)C
SPLASH splash10-0002-0000009000-3080df622991681f8a00
Source of Spectrum J-44-2079-0
Synonyms 1,3,5,7-Tetramethyl-2,4,6,8-tetra(n-pentyl)porphyrin 4,9,14,19-tetramethyl-5,10,15,20-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
Wiley ID 1412946