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8,17-Diethyl-7,12,18-trimethyl-21-carbabenzo[b]porphyrin
SpectraBase Compound ID 2OUDVFUUWm5
InChI InChI=1S/C32H31N3/c1-6-24-19(4)29-14-21-13-22(27-11-9-8-10-26(21)27)15-30-20(5)25(7-2)32(35-30)17-28-18(3)12-23(33-28)16-31(24)34-29/h8-17,34-35H,6-7H2,1-5H3/b21-14-,22-15?,23-16+,28-17?,29-14?,30-15+,31-16?,32-17+
InChIKey ROEKYBBFAIPRIN-FODDNAPCSA-N
Mol Weight 457.6 g/mol
Molecular Formula C32H31N3
Exact Mass 457.251798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69ez2Ei3kVH
Name 8,17-Diethyl-7,12,18-trimethyl-21-carbabenzo[b]porphyrin
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Formula C32H31N3
InChI InChI=1S/C32H31N3/c1-6-24-19(4)29-14-21-13-22(27-11-9-8-10-26(21)27)15-30-20(5)25(7-2)32(35-30)17-28-18(3)12-23(33-28)16-31(24)34-29/h8-17,34-35H,6-7H2,1-5H3/b21-14-,22-15?,23-16+,28-17?,29-14?,30-15+,31-16?,32-17+
InChIKey ROEKYBBFAIPRIN-FODDNAPCSA-N
Molecular Weight 457.621 g/mol
SMILES [nH]1c2c(c(c1C=C1C=C(C=C3NC(=CC4=NC(=C2)C(=C4)C)C(=C3C)CC)c2c1cccc2)C)CC
SPLASH splash10-0a4i-0010900000-78fff8778e04dd1ccc07
Source of Spectrum F-68-1760-8
Synonyms 5,14-diethyl-4,9,15-trimethyl-26,27,28-triazahexacyclo[16.6.1.1(3,6).1(8,11).1(13,16).0(19,24)]octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21,23-tridecaene
Wiley ID 1571973