| SpectraBase Compound ID | EJID9dw0l07 |
|---|---|
| InChI | InChI=1S/C9H6BrNOS/c1-13-9-8(12)7-5(10)3-2-4-6(7)11-9/h2-4H,1H3 |
| InChIKey | VKFOAMHOONLXJP-UHFFFAOYSA-N |
| Mol Weight | 256.12 g/mol |
| Molecular Formula | C9H6BrNOS |
| Exact Mass | 254.935348 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JjgwP70l0Ms |
|---|---|
| Name | 3H-Indol-3-one, 4-bromo-2-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.935347990 u |
| Formula | C9H6BrNOS |
| InChI | InChI=1S/C9H6BrNOS/c1-13-9-8(12)7-5(10)3-2-4-6(7)11-9/h2-4H,1H3 |
| InChIKey | VKFOAMHOONLXJP-UHFFFAOYSA-N |
| Molecular Weight | 256.117 g/mol |
| SMILES | C1(=NC2=C(C1=O)C(=CC=C2)Br)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965148 |