| SpectraBase Compound ID | 2tFJ3KLwSpx |
|---|---|
| InChI | InChI=1S/C12H12N2OS2/c1-9-3-10(5-13-7-16)12(15-2)11(4-9)6-14-8-17/h3-4H,5-6H2,1-2H3 |
| InChIKey | BUNYYRCGGGFKDE-UHFFFAOYSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C12H12N2OS2 |
| Exact Mass | 264.039105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2zlOH9jPz5t |
|---|---|
| Name | 2,6-bis(Thiocyanatomethyl)-4-methylanisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.039105361 u |
| Formula | C12H12N2OS2 |
| InChI | InChI=1S/C12H12N2OS2/c1-9-3-10(5-13-7-16)12(15-2)11(4-9)6-14-8-17/h3-4H,5-6H2,1-2H3 |
| InChIKey | BUNYYRCGGGFKDE-UHFFFAOYSA-N |
| SMILES | C1=C(C(=C(C=C1C)CN=C=S)OC)CN=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806614 |