![1H-1,2,4-Triazole-1-acetonitrile, alpha-[(2,4-dimethylphenyl)propoxymethylene]-](/api/spectrum/Bu7t4ogbfHo/structure.png?h=300&w=458 "1H-1,2,4-Triazole-1-acetonitrile, alpha-[(2,4-dimethylphenyl)propoxymethylene]-")
| SpectraBase Compound ID | Ksi1jztSTC5 |
|---|---|
| InChI | InChI=1S/C16H18N4O/c1-4-7-21-16(14-6-5-12(2)8-13(14)3)15(9-17)20-11-18-10-19-20/h5-6,8,10-11H,4,7H2,1-3H3/b16-15- |
| InChIKey | DKPKTCVTPVCMLR-NXVVXOECSA-N |
| Mol Weight | 282.35 g/mol |
| Molecular Formula | C16H18N4O |
| Exact Mass | 282.148061 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Bu7t4ogbfHo |
|---|---|
| Name | 1H-1,2,4-Triazole-1-acetonitrile, alpha-[(2,4-dimethylphenyl)propoxymethylene]- |
| CAS Registry Number | 133570-88-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H18N4O |
| InChI | InChI=1S/C16H18N4O/c1-4-7-21-16(14-6-5-12(2)8-13(14)3)15(9-17)20-11-18-10-19-20/h5-6,8,10-11H,4,7H2,1-3H3/b16-15- |
| InChIKey | DKPKTCVTPVCMLR-NXVVXOECSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |