| SpectraBase Compound ID | DR8jJHxpw6 |
|---|---|
| InChI | InChI=1S/C6H11BrO2/c1-5(7)3-4-6(8)9-2/h5H,3-4H2,1-2H3 |
| InChIKey | PUULUFJRBAIMQE-UHFFFAOYSA-N |
| Mol Weight | 195.06 g/mol |
| Molecular Formula | C6H11BrO2 |
| Exact Mass | 193.994243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C2tRTgWBCuJ |
|---|---|
| Name | 4-Bromopentanoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.994242592 u |
| Formula | C6H11BrO2 |
| InChI | InChI=1S/C6H11BrO2/c1-5(7)3-4-6(8)9-2/h5H,3-4H2,1-2H3 |
| InChIKey | PUULUFJRBAIMQE-UHFFFAOYSA-N |
| Molecular Weight | 195.056 g/mol |
| SMILES | C(=O)(CCC(Br)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982734 |