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12,13-Diethyl-7,18-dimethyl-21-carbabenzo[b]porphyrin
SpectraBase Compound ID 4KkWtg2i1UJ
InChI InChI=1S/C31H29N3/c1-5-24-25(6-2)31-17-23-12-19(4)29(33-23)15-21-13-20(26-9-7-8-10-27(21)26)14-28-18(3)11-22(32-28)16-30(24)34-31/h7-17,32-33H,5-6H2,1-4H3/b20-14-,21-15-,22-16+,23-17+,28-14+,29-15+,30-16+,31-17+
InChIKey OAAWFHMPCQNFGY-CQDJQALWSA-N
Mol Weight 443.59 g/mol
Molecular Formula C31H29N3
Exact Mass 443.236148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iBPUOm41gj
Name 12,13-Diethyl-7,18-dimethyl-21-carbabenzo[b]porphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H29N3
InChI InChI=1S/C31H29N3/c1-5-24-25(6-2)31-17-23-12-19(4)29(33-23)15-21-13-20(26-9-7-8-10-27(21)26)14-28-18(3)11-22(32-28)16-30(24)34-31/h7-17,32-33H,5-6H2,1-4H3/b20-14-,21-15-,22-16+,23-17+,28-14+,29-15+,30-16+,31-17+
InChIKey OAAWFHMPCQNFGY-CQDJQALWSA-N
Molecular Weight 443.594 g/mol
SMILES N1\C=2C=C(\C1=C\C1=C\C(=C\c3[nH]c(\C=C/4N=C(C/2)C(=C4CC)CC)cc3C)c2c1cccc2)C
SPLASH splash10-0006-0010900000-a5a7cfc9ce29f31a5c08
Source of Spectrum F-68-1761-9
Synonyms 9,10-diethyl-4,15-dimethyl-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 1571972