| SpectraBase Compound ID | 6rD12c0zj7Q |
|---|---|
| InChI | InChI=1S/C9H17BrO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7H2,1-3H3 |
| InChIKey | UYDIIUHJHUZDME-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 | 3YVZtQ0V0Ou |
|---|---|
| Name | 5-Bromopentanoic acid, T-butyl ester |
| 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/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7H2,1-3H3 |
| InChIKey | UYDIIUHJHUZDME-UHFFFAOYSA-N |
| Molecular Weight | 237.137 g/mol |
| SMILES | CC(OC(CCCCBr)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955309 |