| SpectraBase Compound ID | 3OeE9nVmPp2 |
|---|---|
| InChI | InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14) |
| InChIKey | BPICBUSOMSTKRF-UHFFFAOYSA-N |
| Mol Weight | 220.33 g/mol |
| Molecular Formula | C12H16N2S |
| Exact Mass | 220.10342 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | B296uaNETs8 |
|---|---|
| Name | Xylazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.103419697 u |
| Formula | C12H16N2S |
| InChI | InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14) |
| InChIKey | BPICBUSOMSTKRF-UHFFFAOYSA-N |
| Molecular Weight | 220.334 g/mol |
| SMILES | N(C1=C(C=CC=C1C)C)C=1SCCCN1 |
| Spectrum/Structure Validation Score (Raman) | 0.992116 |