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Ethyl 4-[(3-nitro-1,2,4-triazol-1-yl)methylamino]benzoate
SpectraBase Compound ID FgI2LQy6hcx
InChI InChI=1S/C12H13N5O4/c1-2-21-11(18)9-3-5-10(6-4-9)13-7-16-8-14-12(15-16)17(19)20/h3-6,8,13H,2,7H2,1H3
InChIKey WLHWAROPPKVONV-UHFFFAOYSA-N
Mol Weight 291.27 g/mol
Molecular Formula C12H13N5O4
Exact Mass 291.096754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKpnuvu1rCV
Name Ethyl 4-[(3-nitro-1,2,4-triazol-1-yl)methylamino]benzoate
Alternate Name(s) Ethyl 4-{[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]amino}benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N5O4
InChI InChI=1S/C12H13N5O4/c1-2-21-11(18)9-3-5-10(6-4-9)13-7-16-8-14-12(15-16)17(19)20/h3-6,8,13H,2,7H2,1H3
InChIKey WLHWAROPPKVONV-UHFFFAOYSA-N
Molecular Weight 291.267 g/mol
SMILES N(C[n]1nc(nc1)N(=O)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-003r-2900000000-94b2c35ba328685af3b9
Wiley ID 1451791