| SpectraBase Compound ID | 2P56PFmIS7Y |
|---|---|
| InChI | InChI=1S/C15H17BrO6/c1-11(17)20-10-15(19)22-13-7-3-2-6-12(13)21-14(18)8-4-5-9-16/h2-3,6-7H,4-5,8-10H2,1H3 |
| InChIKey | OUSFUAAMSHVTML-UHFFFAOYSA-N |
| Mol Weight | 373.2 g/mol |
| Molecular Formula | C15H17BrO6 |
| Exact Mass | 372.020851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7aU6bvMMZIs |
|---|---|
| Name | 1,2-Benzenediol, o-(acethoxyacetyl)-o'-(5-bromovaleryl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.020851261 u |
| Formula | C15H17BrO6 |
| InChI | InChI=1S/C15H17BrO6/c1-11(17)20-10-15(19)22-13-7-3-2-6-12(13)21-14(18)8-4-5-9-16/h2-3,6-7H,4-5,8-10H2,1H3 |
| InChIKey | OUSFUAAMSHVTML-UHFFFAOYSA-N |
| Molecular Weight | 373.199 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)CCCCBr)OC(COC(C)=O)=O |