| SpectraBase Compound ID | 5V9svoDC1Ju |
|---|---|
| InChI | InChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3 |
| InChIKey | CVAWKJKISIPBOD-UHFFFAOYSA-N |
| Mol Weight | 209.08 g/mol |
| Molecular Formula | C7H13BrO2 |
| Exact Mass | 208.009893 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Cdv8x9ID1eW |
|---|---|
| Name | 2-Bromopropionic acid, tert-butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.009892657 u |
| Formula | C7H13BrO2 |
| InChI | InChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3 |
| InChIKey | CVAWKJKISIPBOD-UHFFFAOYSA-N |
| Molecular Weight | 209.083 g/mol |
| SMILES | CC(C(OC(C)(C)C)=O)Br |
| Spectrum/Structure Validation Score (Raman) | 0.9569 |