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3-Amino-2-benzyl-6-(2-formylhydrazino)-1,2,4-triazin-5(2H)-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

3-Amino-2-benzyl-6-(2-formylhydrazino)-1,2,4-triazin-5(2H)-one
SpectraBase Compound ID JrexMCTyLU3
InChI InChI=1S/C11H12N6O2/c12-11-14-10(19)9(15-13-7-18)16-17(11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,18)(H,15,16)(H2,12,14,19)
InChIKey ZMSDJJDGDCFDMK-UHFFFAOYSA-N
Mol Weight 260.26 g/mol
Molecular Formula C11H12N6O2
Exact Mass 260.102174 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EFRHe68G7Ez
Name 3-Amino-2-benzyl-6-(2-formylhydrazino)-1,2,4-triazin-5(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.102173648 u
Formula C11H12N6O2
InChI InChI=1S/C11H12N6O2/c12-11-14-10(19)9(15-13-7-18)16-17(11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,18)(H,15,16)(H2,12,14,19)
InChIKey ZMSDJJDGDCFDMK-UHFFFAOYSA-N
Molecular Weight 260.257 g/mol
SMILES C1(N)=NC(=O)C(NNC=O)=NN1CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869987