| SpectraBase Compound ID | Hc96kM8yAKN |
|---|---|
| InChI | InChI=1S/C7H13BrO/c1-7(2,5-8)3-6-4-9-6/h6H,3-5H2,1-2H3 |
| InChIKey | MLDWKEOYLOCNDH-UHFFFAOYSA-N |
| Mol Weight | 193.08 g/mol |
| Molecular Formula | C7H13BrO |
| Exact Mass | 192.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5ZoPSZklXFP |
|---|---|
| Name | 2-(3-Bromo-2,2-dimethylpropyl)oxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.014978038 u |
| Formula | C7H13BrO |
| InChI | InChI=1S/C7H13BrO/c1-7(2,5-8)3-6-4-9-6/h6H,3-5H2,1-2H3 |
| InChIKey | MLDWKEOYLOCNDH-UHFFFAOYSA-N |
| Molecular Weight | 193.084 g/mol |
| SMILES | C1(OC1)CC(CBr)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955324 |