![[(2R,3S)-3-[(4-bromobenzyl)oxymethyl]oxiran-2-yl]methanol](/api/spectrum/7v16eYYJEbe/structure.png?h=300&w=458 "[(2R,3S)-3-[(4-bromobenzyl)oxymethyl]oxiran-2-yl]methanol")
| SpectraBase Compound ID | KjYdKtiWboF |
|---|---|
| InChI | InChI=1S/C11H13BrO3/c12-9-3-1-8(2-4-9)6-14-7-11-10(5-13)15-11/h1-4,10-11,13H,5-7H2/t10-,11+/m1/s1 |
| InChIKey | PECBWSBCNVSTRY-MNOVXSKESA-N |
| Mol Weight | 273.13 g/mol |
| Molecular Formula | C11H13BrO3 |
| Exact Mass | 272.004807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7v16eYYJEbe |
|---|---|
| Name | [(2R,3S)-3-[(4-Bromobenzyl)oxymethyl]oxiran-2-yl]methanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.004807276 u |
| Formula | C11H13BrO3 |
| InChI | InChI=1S/C11H13BrO3/c12-9-3-1-8(2-4-9)6-14-7-11-10(5-13)15-11/h1-4,10-11,13H,5-7H2/t10-,11+/m1/s1 |
| InChIKey | PECBWSBCNVSTRY-MNOVXSKESA-N |
| SMILES | [C@@]1(O[C@@]1(CO)[H])(COCC1=CC=C(C=C1)Br)[H] |