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1,3,6,7,9b-Pentaazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester
SpectraBase Compound ID BQFGqq6aZoE
InChI InChI=1S/C12H11N5O2/c1-3-19-11(18)8-6-14-12-13-5-4-9-15-7(2)16-10(8)17(9)12/h4-6H,3H2,1-2H3
InChIKey FAKIOPBAHUWEKI-UHFFFAOYSA-N
Mol Weight 257.25 g/mol
Molecular Formula C12H11N5O2
Exact Mass 257.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKFtOVrSq6Q
Name 1,3,6,7,9b-Pentaazaphenalene-4-carboxylic acid, 2-methyl-, ethyl ester
CAS Registry Number 38424-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N5O2
InChI InChI=1S/C12H11N5O2/c1-3-19-11(18)8-6-14-12-13-5-4-9-15-7(2)16-10(8)17(9)12/h4-6H,3H2,1-2H3
InChIKey FAKIOPBAHUWEKI-UHFFFAOYSA-N
Molecular Weight 257.253 g/mol
SMILES C=12N3C(C=CN=C3N=CC1C(=O)OCC)=NC(=N2)C
SPLASH splash10-052r-8940000000-3f2177fb11cb4d29581c
Source of Spectrum S-26-640-4
Synonyms 4-Carbethoxy-1,3,6,7-tetraazacycl(3.3.3)azine Ethyl 2-methyl-1,3,6,7,9b-pentaazaphenalene-4-carboxylate
Wiley ID 1260609