| SpectraBase Compound ID | 5GhnRSllwL8 |
|---|---|
| InChI | InChI=1S/C6H9NOS2/c1-2-3-7-5(8)4-10-6(7)9/h2-4H2,1H3 |
| InChIKey | KKDLWQFJOGDMBI-UHFFFAOYSA-N |
| Mol Weight | 175.26 g/mol |
| Molecular Formula | C6H9NOS2 |
| Exact Mass | 175.012556 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9hDbSnyjc1G |
|---|---|
| Name | 3-Propylrhodanine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.012556261 u |
| Formula | C6H9NOS2 |
| InChI | InChI=1S/C6H9NOS2/c1-2-3-7-5(8)4-10-6(7)9/h2-4H2,1H3 |
| InChIKey | KKDLWQFJOGDMBI-UHFFFAOYSA-N |
| Molecular Weight | 175.264 g/mol |
| SMILES | C1(=O)N(C(=S)SC1)CCC |
| Spectrum/Structure Validation Score (Raman) | 0.788438 |