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3-(7,8,12,13,17,18-Hexaethyl-3-methyl-22,24-dihydro-porphin-2-yl)-propionitrile

View entire compound with spectra: 3 MS (GC)

3-(7,8,12,13,17,18-Hexaethyl-3-methyl-22,24-dihydro-porphin-2-yl)-propionitrile
SpectraBase Compound ID BrMjcXQNOe5
InChI InChI=1S/C36H43N5/c1-8-22-23(9-2)31-18-32-24(10-3)25(11-4)33(40-32)19-34-26(12-5)27(13-6)35(41-34)20-36-28(15-14-16-37)21(7)29(38-36)17-30(22)39-31/h17-20,39,41H,8-15H2,1-7H3/b29-17-,30-17-,31-18-,32-18-,33-19-,34-19-,35-20-,36-20-
InChIKey UXMUAWZODCCKIB-PUQSVQPZSA-N
Mol Weight 545.8 g/mol
Molecular Formula C36H43N5
Exact Mass 545.351846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yLchINwslm
Name 3-(7,8,12,13,17,18-Hexaethyl-3-methyl-22,24-dihydro-porphin-2-yl)-propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H43N5
InChI InChI=1S/C36H43N5/c1-8-22-23(9-2)31-18-32-24(10-3)25(11-4)33(40-32)19-34-26(12-5)27(13-6)35(41-34)20-36-28(15-14-16-37)21(7)29(38-36)17-30(22)39-31/h17-20,39,41H,8-15H2,1-7H3/b29-17-,30-17-,31-18-,32-18-,33-19-,34-19-,35-20-,36-20-
InChIKey UXMUAWZODCCKIB-PUQSVQPZSA-N
Molecular Weight 545.775 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC#N)C)c(c3CC)CC)c(c1CC)CC)CC)CC
SPLASH splash10-0002-2141390000-8f95f05863e294e339de
Wiley ID 1486468