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2,2,7,7,12,12,13,17,18-Nonamethyl-2,3,7,8,12,13,22,24-octahydro-porphine
SpectraBase Compound ID 4AG28s1ZIAk
InChI InChI=1S/C29H38N4/c1-16-17(2)22-13-25-28(6,7)14-19(31-25)10-24-27(4,5)15-20(30-24)11-26-29(8,9)18(3)23(33-26)12-21(16)32-22/h10-13,18,30,32H,14-15H2,1-9H3/b20-11-,23-12-,24-10-,25-13-
InChIKey REHUSSHLAVRFGR-KVVOZOPSSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H38N4
Exact Mass 442.309647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QPqdWyJiJo
Name 2,2,7,7,12,12,13,17,18-Nonamethyl-2,3,7,8,12,13,22,24-octahydro-porphine
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Formula C29H38N4
InChI InChI=1S/C29H38N4/c1-16-17(2)22-13-25-28(6,7)14-19(31-25)10-24-27(4,5)15-20(30-24)11-26-29(8,9)18(3)23(33-26)12-21(16)32-22/h10-13,18,30,32H,14-15H2,1-9H3/b20-11-,23-12-,24-10-,25-13-
InChIKey REHUSSHLAVRFGR-KVVOZOPSSA-N
Molecular Weight 442.651 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)C(C4(C)C)C)CC3(C)C)CC1(C)C)C)C
SPLASH splash10-0006-3432900000-fbe509516dd2aafcd6ef
Source of Spectrum CM-1999-19777-0
Wiley ID 482131