![o-[3-(cyanomethyl)-5-thioxo-delta^2-1,2,4-triazolin-4-yl]benzoic acid, methyl ester](/api/spectrum/EdxpiQGxVGD/structure.png?h=300&w=458 "o-[3-(cyanomethyl)-5-thioxo-delta^2-1,2,4-triazolin-4-yl]benzoic acid, methyl ester")
| SpectraBase Compound ID | GXMrO1WMbK0 |
|---|---|
| InChI | InChI=1S/C12H10N4O2S/c1-18-11(17)8-4-2-3-5-9(8)16-10(6-7-13)14-15-12(16)19/h2-5H,6H2,1H3,(H,15,19) |
| InChIKey | OSHNAASSIQIDOD-UHFFFAOYSA-N |
| Mol Weight | 274.3 g/mol |
| Molecular Formula | C12H10N4O2S |
| Exact Mass | 274.052447 g/mol |
Ultraviolet-Visible (UV-Vis) Spectrum
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| SpectraBase Spectrum ID | EdxpiQGxVGD |
|---|---|
| Name | o-[3-(cyanomethyl)-5-thioxo-delta^2-1,2,4-triazolin-4-yl]benzoic acid, methyl ester |
| Conditions | Neutral |
| Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H10N4O2S |
| InChI | InChI=1S/C12H10N4O2S/c1-18-11(17)8-4-2-3-5-9(8)16-10(6-7-13)14-15-12(16)19/h2-5H,6H2,1H3,(H,15,19) |
| InChIKey | OSHNAASSIQIDOD-UHFFFAOYSA-N |
| Sadtler IR Number | 54575 |
| Sadtler UV Number | 29441N |
| Solvent | Methanol |