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21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-pentyl-
SpectraBase Compound ID KRhsxs6Kgsy
InChI InChI=1S/C41H56N4/c1-10-19-20-21-33-40-31(17-8)29(15-6)38(44-40)23-36-27(13-4)25(11-2)34(42-36)22-35-26(12-3)28(14-5)37(43-35)24-39-30(16-7)32(18-9)41(33)45-39/h22-24,42,45H,10-21H2,1-9H3/b34-22-,35-22-,36-23-,37-24-,38-23-,39-24-,40-33-,41-33-
InChIKey DYBDMYPDJBYFCA-UMPRYJGGSA-N
Mol Weight 604.9 g/mol
Molecular Formula C41H56N4
Exact Mass 604.450498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VegKt2RJSq
Name 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-pentyl-
CAS Registry Number 80056-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H56N4
InChI InChI=1S/C41H56N4/c1-10-19-20-21-33-40-31(17-8)29(15-6)38(44-40)23-36-27(13-4)25(11-2)34(42-36)22-35-26(12-3)28(14-5)37(43-35)24-39-30(16-7)32(18-9)41(33)45-39/h22-24,42,45H,10-21H2,1-9H3/b34-22-,35-22-,36-23-,37-24-,38-23-,39-24-,40-33-,41-33-
InChIKey DYBDMYPDJBYFCA-UMPRYJGGSA-N
Molecular Weight 604.927 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(c(c4nc(c2)c(c4CC)CC)CCCCC)c(c3CC)CC)c(c1CC)CC)CC)CC
SPLASH splash10-0zfs-0000079000-e9bf63971d423f58eb21
Source of Spectrum KC-1981-2629-0
Synonyms 4,5,9,10,14,15,19,20-octaethyl-2-pentyl-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 meso-n-pentyloctaethylporphyrin
Wiley ID 1410507