| SpectraBase Compound ID | 3Bwd7uQQ5on |
|---|---|
| InChI | InChI=1S/C7H9NOS/c1-7(2)5(4-8)3-6(10)9-7/h5H,3H2,1-2H3 |
| InChIKey | QPQVZEQWPFCLPM-UHFFFAOYSA-N |
| Mol Weight | 155.21 g/mol |
| Molecular Formula | C7H9NOS |
| Exact Mass | 155.040485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FP5DqAMdVTI |
|---|---|
| Name | 3-Furancarbonitrile, tetrahydro-2,2-dimethyl-5-thioxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.040485087 u |
| Formula | C7H9NOS |
| InChI | InChI=1S/C7H9NOS/c1-7(2)5(4-8)3-6(10)9-7/h5H,3H2,1-2H3 |
| InChIKey | QPQVZEQWPFCLPM-UHFFFAOYSA-N |
| Molecular Weight | 155.215 g/mol |
| SMILES | C1(OC(CC1C#N)=S)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953273 |