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(3aR,7aR)-7-Acetyl-2-methyl-5-(4-nitro-phenyl)-3a,4,7,7a-tetrahydro-1H-1,4,6,7-tetraaza-indene-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(3aR,7aR)-7-Acetyl-2-methyl-5-(4-nitro-phenyl)-3a,4,7,7a-tetrahydro-1H-1,4,6,7-tetraaza-indene-3-carboxylic acid ethyl ester
SpectraBase Compound ID CbsNc5rB6Kk
InChI InChI=1S/C17H19N5O5/c1-4-27-17(24)21-11(2)9-15-16(21)18-20(10-19(15)12(3)23)13-5-7-14(8-6-13)22(25)26/h5-9,18H,4,10H2,1-3H3
InChIKey QGDFCWNZIRSGGK-UHFFFAOYSA-N
Mol Weight 373.37 g/mol
Molecular Formula C17H19N5O5
Exact Mass 373.138619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1FxGJ39sbg
Name (3aR,7aR)-7-Acetyl-2-methyl-5-(4-nitro-phenyl)-3a,4,7,7a-tetrahydro-1H-1,4,6,7-tetraaza-indene-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 4-Acetyl-2-methyl-6-(4-nitrophenyl)pyrrolo[3,2-e][1,2,4]-triazine-1-carboxylate Ethyl 4-acetyl-6-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro-7H-pyrrolo[3,2-e][1,2,4]triazine-7-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N5O5
InChI InChI=1S/C17H19N5O5/c1-4-27-17(24)21-11(2)9-15-16(21)18-20(10-19(15)12(3)23)13-5-7-14(8-6-13)22(25)26/h5-9,18H,4,10H2,1-3H3
InChIKey QGDFCWNZIRSGGK-UHFFFAOYSA-N
Molecular Weight 373.369 g/mol
SMILES N1N(CN(c2cc([n](c12)C(=O)OCC)C)C(=O)C)c1ccc(N(=O)=O)cc1
SPLASH splash10-0100-0809000000-673f0b6880e4e73c7464
Source of Spectrum Y1-44-2423-3
Wiley ID 1621373