| SpectraBase Compound ID | HumGO5le5IT |
|---|---|
| InChI | InChI=1S/C10H8N2S2/c13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h1-4H,5-6H2 |
| InChIKey | IZZIFFOYWBHUEQ-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C10H8N2S2 |
| Exact Mass | 220.012891 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5oZWo5Ndc5D |
|---|---|
| Name | p-Xylylene dithiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.012890614 u |
| Formula | C10H8N2S2 |
| InChI | InChI=1S/C10H8N2S2/c13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h1-4H,5-6H2 |
| InChIKey | IZZIFFOYWBHUEQ-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)CN=C=S)CN=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914616 |