| SpectraBase Compound ID | G65qUEsNt5h |
|---|---|
| InChI | InChI=1S/C4H6N2O2S/c1-4(2,6(7)8)9-3-5/h1-2H3 |
| InChIKey | OVKWLQSNSROMAH-UHFFFAOYSA-N |
| Mol Weight | 146.16 g/mol |
| Molecular Formula | C4H6N2O2S |
| Exact Mass | 146.014999 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9BdTbhw1m8u |
|---|---|
| Name | 2-Nitro-2-thiocyanatopropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.014998613 u |
| Formula | C4H6N2O2S |
| InChI | InChI=1S/C4H6N2O2S/c1-4(2,6(7)8)9-3-5/h1-2H3 |
| InChIKey | OVKWLQSNSROMAH-UHFFFAOYSA-N |
| SMILES | CC(C)(SC#N)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905599 |