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8-Ethoxycarbonyl-10-(4-nitrophenyl)-[1,2,4]-triazolo[4,3-a]perimidine
SpectraBase Compound ID FUp9ibCr4T7
InChI InChI=1S/C21H15N5O4/c1-2-30-20(27)19-23-25(14-9-11-15(12-10-14)26(28)29)21-22-16-7-3-5-13-6-4-8-17(18(13)16)24(19)21/h3-12H,2H2,1H3
InChIKey SMLAMPPFCOCHDS-UHFFFAOYSA-N
Mol Weight 401.38 g/mol
Molecular Formula C21H15N5O4
Exact Mass 401.112404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID c4zYXXvKy
Name 8-Ethoxycarbonyl-10-(4-nitrophenyl)-[1,2,4]-triazolo[4,3-a]perimidine
Alternate Name(s) Ethyl 8-(4-nitrophenyl)-8H-[1,2,4]triazolo[4,3-a]perimidine-10-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N5O4
InChI InChI=1S/C21H15N5O4/c1-2-30-20(27)19-23-25(14-9-11-15(12-10-14)26(28)29)21-22-16-7-3-5-13-6-4-8-17(18(13)16)24(19)21/h3-12H,2H2,1H3
InChIKey SMLAMPPFCOCHDS-UHFFFAOYSA-N
Molecular Weight 401.382 g/mol
SMILES c12c3c(cccc3ccc2)N=C2N(N=C(N12)C(=O)OCC)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0udi-0311900000-2d8517f0018b12f3dacd
Source of Spectrum APC-346-400-20h
Wiley ID 1769488