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2,3,7,8,12,13,17,18-Octapropyl-21H,23H-porphine
SpectraBase Compound ID IsbcTWXzcVW
InChI InChI=1S/C44H62N4/c1-9-17-29-30(18-10-2)38-26-40-33(21-13-5)34(22-14-6)42(47-40)28-44-36(24-16-8)35(23-15-7)43(48-44)27-41-32(20-12-4)31(19-11-3)39(46-41)25-37(29)45-38/h25-28,45,48H,9-24H2,1-8H3/b37-25-,38-26-,39-25-,40-26-,41-27-,42-28-,43-27-,44-28-
InChIKey RUEFREWYLZTIPK-WSXKDMBMSA-N
Mol Weight 647.0 g/mol
Molecular Formula C44H62N4
Exact Mass 646.497448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ae5PeiDe9mT
Name 2,3,7,8,12,13,17,18-Octapropyl-21H,23H-porphine
CAS Registry Number 73405-54-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H62N4
InChI InChI=1S/C44H62N4/c1-9-17-29-30(18-10-2)38-26-40-33(21-13-5)34(22-14-6)42(47-40)28-44-36(24-16-8)35(23-15-7)43(48-44)27-41-32(20-12-4)31(19-11-3)39(46-41)25-37(29)45-38/h25-28,45,48H,9-24H2,1-8H3/b37-25-,38-26-,39-25-,40-26-,41-27-,42-28-,43-27-,44-28-
InChIKey RUEFREWYLZTIPK-WSXKDMBMSA-N
Molecular Weight 647.008 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC)CCC)c(c3CCC)CCC)c(c1CCC)CCC)CCC)CCC
SPLASH splash10-0002-0000009000-0fe83ee97d53857ed884
Source of Spectrum HC-20-751-0
Wiley ID 1412947