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3,6,8-triethyl-.gamma.-formyl-1,4,5,7-tetramethylporphyrin
SpectraBase Compound ID CSdOS79CLBQ
InChI InChI=1S/C31H34N4O/c1-8-21-17(5)26-14-27-18(6)23(10-3)31(34-27)24(15-36)30-19(7)22(9-2)29(35-30)13-25-16(4)11-20(32-25)12-28(21)33-26/h11-15,32,34H,8-10H2,1-7H3/b20-12-,25-13-,26-14-,27-14-,28-12-,29-13-,30-24-,31-24-
InChIKey FACJPTRTAUFLJA-BNFGEAMXSA-N
Mol Weight 478.6 g/mol
Molecular Formula C31H34N4O
Exact Mass 478.273262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jxAFHFOVcH
Name 3,6,8-triethyl-.gamma.-formyl-1,4,5,7-tetramethylporphyrin
Alternate Name(s) 5,14,20-triethyl-4,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene-2-carbaldehyde
CAS Registry Number 96246-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H34N4O
InChI InChI=1S/C31H34N4O/c1-8-21-17(5)26-14-27-18(6)23(10-3)31(34-27)24(15-36)30-19(7)22(9-2)29(35-30)13-25-16(4)11-20(32-25)12-28(21)33-26/h11-15,32,34H,8-10H2,1-7H3/b20-12-,25-13-,26-14-,27-14-,28-12-,29-13-,30-24-,31-24-
InChIKey FACJPTRTAUFLJA-BNFGEAMXSA-N
Molecular Weight 478.640 g/mol
SMILES [nH]1c2cc3nc(cc4[nH]c(c(c5nc(cc1c(c2)C)c(c5C)CC)C=O)c(c4C)CC)c(c3CC)C
SPLASH splash10-0ufr-0000900000-c8cc6e0059eea4c47827
Source of Spectrum J-50-2079-13
Wiley ID 1394884