| SpectraBase Compound ID | JTPMnfNHIJW |
|---|---|
| InChI | InChI=1S/C6H7NS/c1-5(2)6(3)8-4-7/h1,3H2,2H3 |
| InChIKey | YHXNRYBVSIRHGE-UHFFFAOYSA-N |
| Mol Weight | 125.19 g/mol |
| Molecular Formula | C6H7NS |
| Exact Mass | 125.02992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4GSjfShDtlE |
|---|---|
| Name | 2-Methyl-1-methyleneprop-2-enyl thiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.029920403 u |
| Formula | C6H7NS |
| InChI | InChI=1S/C6H7NS/c1-5(2)6(3)8-4-7/h1,3H2,2H3 |
| InChIKey | YHXNRYBVSIRHGE-UHFFFAOYSA-N |
| Molecular Weight | 125.189 g/mol |
| SMILES | C(#N)SC(C(=C)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93404 |