| SpectraBase Compound ID | Fr65gL57NgD |
|---|---|
| InChI | InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | QHTQREMOGMZHJV-UHFFFAOYSA-N |
| Mol Weight | 257.78 g/mol |
| Molecular Formula | C12H16ClNOS |
| Exact Mass | 257.064113 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FaMnwvhEDkZ |
|---|---|
| Name | Thiobencarb |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.064113012 u |
| Formula | C12H16ClNOS |
| InChI | InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | QHTQREMOGMZHJV-UHFFFAOYSA-N |
| Molecular Weight | 257.779 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)CSC(N(CC)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.874277 |