| SpectraBase Compound ID | Aw4ctAGjAxD |
|---|---|
| InChI | InChI=1S/C10H11BrO3/c11-6-1-7-14-10(13)8-2-4-9(12)5-3-8/h2-5,12H,1,6-7H2 |
| InChIKey | IOHPKRIYFUZRJA-UHFFFAOYSA-N |
| Mol Weight | 259.1 g/mol |
| Molecular Formula | C10H11BrO3 |
| Exact Mass | 257.989157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JaDjcBLvw3R |
|---|---|
| Name | Benzoic acid, 4-hydroxy-, 3-bromopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.989157211 u |
| Formula | C10H11BrO3 |
| InChI | InChI=1S/C10H11BrO3/c11-6-1-7-14-10(13)8-2-4-9(12)5-3-8/h2-5,12H,1,6-7H2 |
| InChIKey | IOHPKRIYFUZRJA-UHFFFAOYSA-N |
| Molecular Weight | 259.099 g/mol |
| SMILES | C1(O)=CC=C(C=C1)C(=O)OCCCBr |