| SpectraBase Compound ID | 2w4uUH2jZrM |
|---|---|
| InChI | InChI=1S/C9H9BrOS2/c1-13-9(12)11-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3 |
| InChIKey | PZBHVLFERMVEAT-UHFFFAOYSA-N |
| Mol Weight | 277.19 g/mol |
| Molecular Formula | C9H9BrOS2 |
| Exact Mass | 275.92782 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4rizy5cHYGX |
|---|---|
| Name | o-4-Bromophenylmethyl S-methyl dithiocarbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.927820257 u |
| Formula | C9H9BrOS2 |
| InChI | InChI=1S/C9H9BrOS2/c1-13-9(12)11-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3 |
| InChIKey | PZBHVLFERMVEAT-UHFFFAOYSA-N |
| SMILES | C(=S)(OCC1=CC=C(C=C1)Br)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814929 |