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2,2,8,8,12,13,17,18-Octamethyl-2,3,7,8,22,24-hexahydro-porphine-5-carbonitrile
SpectraBase Compound ID 77a7WSuweOq
InChI InChI=1S/C29H33N5/c1-15-17(3)22-10-26-28(5,6)12-24(33-26)19(14-30)25-13-29(7,8)27(34-25)11-23-18(4)16(2)21(32-23)9-20(15)31-22/h9-11,31,34H,12-13H2,1-8H3/b21-9-,25-19-,26-10-,27-11-
InChIKey CUMVIXJPWUNJPH-LFSRVCCBSA-N
Mol Weight 451.6 g/mol
Molecular Formula C29H33N5
Exact Mass 451.273596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UrGWiF7MBK
Name 2,2,8,8,12,13,17,18-Octamethyl-2,3,7,8,22,24-hexahydro-porphine-5-carbonitrile
CAS Registry Number 72812-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33N5
InChI InChI=1S/C29H33N5/c1-15-17(3)22-10-26-28(5,6)12-24(33-26)19(14-30)25-13-29(7,8)27(34-25)11-23-18(4)16(2)21(32-23)9-20(15)31-22/h9-11,31,34H,12-13H2,1-8H3/b21-9-,25-19-,26-10-,27-11-
InChIKey CUMVIXJPWUNJPH-LFSRVCCBSA-N
Molecular Weight 451.618 g/mol
SMILES [nH]1c2cc3nc(cc4c(c(c(cc5C(Cc(c(c1CC2(C)C)C#N)n5)(C)C)[nH]4)C)C)c(c3C)C
SPLASH splash10-0udr-0010900000-edfb6e4996e55a66067d
Wiley ID 1484424