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1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, ethyl ester
SpectraBase Compound ID DjyPWHKYMva
InChI InChI=1S/C12H10N4O2/c1-2-18-12(17)8-6-13-9-4-3-5-10-14-7-15-11(8)16(9)10/h3-7H,2H2,1H3
InChIKey OEHCVTSREKLEOH-UHFFFAOYSA-N
Mol Weight 242.24 g/mol
Molecular Formula C12H10N4O2
Exact Mass 242.080376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wuuoPffDjS
Name 1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, ethyl ester
Alternate Name(s) Ethyl 1,3,6,9b-tetraazaphenalene-4-carboxylate
CAS Registry Number 37550-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N4O2
InChI InChI=1S/C12H10N4O2/c1-2-18-12(17)8-6-13-9-4-3-5-10-14-7-15-11(8)16(9)10/h3-7H,2H2,1H3
InChIKey OEHCVTSREKLEOH-UHFFFAOYSA-N
Molecular Weight 242.238 g/mol
SMILES C1=CC=C2N3C1=NC=NC3=C(C=N2)C(OCC)=O
SPLASH splash10-006x-2930000000-57699b98b111003b37f1
Source of Spectrum S-26-613-8
Wiley ID 1244747