| SpectraBase Compound ID | F0sAmawHkKW |
|---|---|
| InChI | InChI=1S/C6H7BrO2/c7-4-5-2-1-3-6(8)9-5/h4H,1-3H2/b5-4- |
| InChIKey | LCRYFNQWSFRVCH-PLNGDYQASA-N |
| Mol Weight | 191.02 g/mol |
| Molecular Formula | C6H7BrO2 |
| Exact Mass | 189.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HMGADWhslae |
|---|---|
| Name | (6Z)-6-(Bromanylmethylidene)oxan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.962942463 u |
| Formula | C6H7BrO2 |
| InChI | InChI=1S/C6H7BrO2/c7-4-5-2-1-3-6(8)9-5/h4H,1-3H2/b5-4- |
| InChIKey | LCRYFNQWSFRVCH-PLNGDYQASA-N |
| Molecular Weight | 191.024 g/mol |
| SMILES | C1(O\C(CCC1)=C\Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910385 |