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Ethyl 4-[(3-nitro-1,2,4-triazol-1-yl)methylamino]benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CF0vmsSBRAs
Name benzoic acid, 4-[[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]amino]-, ethylester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.096753915 u
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
NMR Offset 17.9879
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16321
Solvent CDCl3
Source Vendor ID: NMR/10320162; Lab Info: KAG; Lab Number: KAG-COR0002