| SpectraBase Compound ID | cNn9hwMUDf |
|---|---|
| InChI | InChI=1S/C9H10BrNS/c1-11(2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3 |
| InChIKey | PXRXKAXKYYDXOS-UHFFFAOYSA-N |
| Mol Weight | 244.15 g/mol |
| Molecular Formula | C9H10BrNS |
| Exact Mass | 242.971733 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5e4QIE7w99X |
|---|---|
| Name | Benzenecarbothioamide, 2-bromo-N,N-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.971733500 u |
| Formula | C9H10BrNS |
| InChI | InChI=1S/C9H10BrNS/c1-11(2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3 |
| InChIKey | PXRXKAXKYYDXOS-UHFFFAOYSA-N |
| Molecular Weight | 244.150 g/mol |
| SMILES | C(C=1C(Br)=CC=CC1)(=S)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927161 |