| SpectraBase Compound ID | B19iO0a5UTC |
|---|---|
| InChI | InChI=1S/C11H13BrO2/c1-9-4-2-5-10(8-9)14-11(13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3 |
| InChIKey | SXXFVNKMMNIMHS-UHFFFAOYSA-N |
| Mol Weight | 257.13 g/mol |
| Molecular Formula | C11H13BrO2 |
| Exact Mass | 256.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbPZ3LV1nk4 |
|---|---|
| Name | 4-Bromobutyric acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.009892657 u |
| Formula | C11H13BrO2 |
| InChI | InChI=1S/C11H13BrO2/c1-9-4-2-5-10(8-9)14-11(13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3 |
| InChIKey | SXXFVNKMMNIMHS-UHFFFAOYSA-N |
| Molecular Weight | 257.127 g/mol |
| SMILES | C(CCC(OC1=CC(C)=CC=C1)=O)Br |