| SpectraBase Compound ID | EHdIgsqjIDc |
|---|---|
| InChI | InChI=1S/C7H9BrO/c1-2-3-7-6(8)4-5-9-7/h6-7H,4-5H2,1H3 |
| InChIKey | PLDDHKUHOZFCMV-UHFFFAOYSA-N |
| Mol Weight | 189.05 g/mol |
| Molecular Formula | C7H9BrO |
| Exact Mass | 187.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K2aovNzHiOH |
|---|---|
| Name | 3-Bromo-2-prop-1-ynyltetrahydrofuran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.983677909 u |
| Formula | C7H9BrO |
| InChI | InChI=1S/C7H9BrO/c1-2-3-7-6(8)4-5-9-7/h6-7H,4-5H2,1H3 |
| InChIKey | PLDDHKUHOZFCMV-UHFFFAOYSA-N |
| Molecular Weight | 189.052 g/mol |
| SMILES | C1COC(C1Br)C#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85428 |