| SpectraBase Compound ID | BHBO1gbdRIz |
|---|---|
| InChI | InChI=1S/C7H7NS/c1-5-3-6(2)7(5)8-4-9/h1,3H2,2H3 |
| InChIKey | FOEODUKWSKIKCU-UHFFFAOYSA-N |
| Mol Weight | 137.2 g/mol |
| Molecular Formula | C7H7NS |
| Exact Mass | 137.02992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6JLdHgODEhj |
|---|---|
| Name | 2-Isothiocyanato-1-methyl-3-methylene-cyclobutene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.029920403 u |
| Formula | C7H7NS |
| InChI | InChI=1S/C7H7NS/c1-5-3-6(2)7(5)8-4-9/h1,3H2,2H3 |
| InChIKey | FOEODUKWSKIKCU-UHFFFAOYSA-N |
| SMILES | C=1(C(=C)CC1C)N=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922349 |