| SpectraBase Compound ID | 65gwBOPoKou |
|---|---|
| InChI | InChI=1S/C9H17BrO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2 |
| InChIKey | DFXFQWZHKKEJDM-UHFFFAOYSA-N |
| Mol Weight | 237.14 g/mol |
| Molecular Formula | C9H17BrO2 |
| Exact Mass | 236.041193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AqVdyjcgPiD |
|---|---|
| Name | 2H-Pyran, 2-(4-bromobutoxy)tetrahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.041192785 u |
| Formula | C9H17BrO2 |
| InChI | InChI=1S/C9H17BrO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2 |
| InChIKey | DFXFQWZHKKEJDM-UHFFFAOYSA-N |
| Molecular Weight | 237.137 g/mol |
| SMILES | C1(OCCCC1)OCCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844786 |