| SpectraBase Compound ID | EXRHGnnC16l |
|---|---|
| InChI | InChI=1S/C11H9NO3S2/c13-10-5-17-11(16)12(10)4-7-1-2-8-9(3-7)15-6-14-8/h1-3H,4-6H2 |
| InChIKey | MHSDYAGXVXJMRR-UHFFFAOYSA-N |
| Mol Weight | 267.32 g/mol |
| Molecular Formula | C11H9NO3S2 |
| Exact Mass | 267.002385 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EXEfPI8okM9 |
|---|---|
| Name | 3-Piperonyl rhodanine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.002385499 u |
| Formula | C11H9NO3S2 |
| InChI | InChI=1S/C11H9NO3S2/c13-10-5-17-11(16)12(10)4-7-1-2-8-9(3-7)15-6-14-8/h1-3H,4-6H2 |
| InChIKey | MHSDYAGXVXJMRR-UHFFFAOYSA-N |
| Molecular Weight | 267.317 g/mol |
| SMILES | C1(=S)SCC(=O)N1CC1=CC=C2OCOC2=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896735 |