FYADHXFMURLYQI-UHFFFAOYSA-N
Compound with spectra: 11 NMR, and 1 MS (GC)
| SpectraBase Compound ID | 1nKJ4sJCWcG |
|---|---|
| InChI | InChI=1S/C3H3N3/c1-2-5-6-3-4-1/h1-3H |
| InChIKey | FYADHXFMURLYQI-UHFFFAOYSA-N |
| Mol Weight | 81.078 g/mol |
| Molecular Formula | C3H3N3 |
| Exact Mass | 81.032697 g/mol |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | S. Braun, G. Frey Org. Magn. Resonance 7, 194(1975) |
| Solvent | Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | NH3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH3OH |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | T-67-59-0 |
- 1,2,4-TRIAZIN
- 1,2,4-Triazine
- as-TRIAZINE
| Title | Journal or Book | Year |
|---|---|---|
| On the accuracy of the GIAO-DFT calculation of15N NMR chemical shifts of the nitrogen-containing heterocycles - a gateway to better agreement with experiment at lower computational cost | Magnetic Resonance in Chemistry | 2014 |
| Intérêt des spectres de RMN de 13C dans la série de la triazine-,2,4 | Recueil des Travaux Chimiques des Pays-Bas | 2010 |
| 13C and15N NMR study of substituted 1,2,4-triazines | Magnetic Resonance in Chemistry | 1995 |
| Synthesis of the First Monosubstituted 1,2,4-Triazine Di-N-oxide. 13C NMR of 1,2,4-Triazine N-Oxides and Use of Hydrogen/Deuterium Isotope Shifts for the Assignments of Some Dihydro-1,2,4-triazine Tautomers | HETEROCYCLES | 1986 |
| Backdonation and Interrelationships between 15N, 13C Chemical Shifts and Infrared Absorption Frequencies in Heterocyclic N-Oxides | HETEROCYCLES | 1982 |
| Hochauflösungs-13C-NMR-Spektroskopie. I—Analyse der Spektren des 1,2,4- und 1,3,5-Triazins sowie ihrer Methyl- und Phenylderivate | Organic Magnetic Resonance | 1975 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.