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Terephthalaldehydic acid, methyloxamoylhydrazone, methyl ester

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

Terephthalaldehydic acid, methyloxamoylhydrazone, methyl ester
SpectraBase Compound ID K6pVLH2UY6s
InChI InChI=1S/C12H13N3O4/c1-13-10(16)11(17)15-14-7-8-3-5-9(6-4-8)12(18)19-2/h3-7H,1-2H3,(H,13,16)(H,15,17)/b14-7+
InChIKey HITFZRMBSDDMAG-VGOFMYFVSA-N
Mol Weight 263.25 g/mol
Molecular Formula C12H13N3O4
Exact Mass 263.090606 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8exBBZf3Z8I
Name Terephthalaldehydic acid, methyloxamoylhydrazone, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.090605907 u
Formula C12H13N3O4
InChI InChI=1S/C12H13N3O4/c1-13-10(16)11(17)15-14-7-8-3-5-9(6-4-8)12(18)19-2/h3-7H,1-2H3,(H,13,16)(H,15,17)/b14-7+
InChIKey HITFZRMBSDDMAG-VGOFMYFVSA-N
SMILES C(C(=O)NC)(N\N=C\C1=CC=C(C(=O)OC)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89355