| SpectraBase Compound ID | DIGd7iN8avn |
|---|---|
| InChI | InChI=1S/C16H21BrO4/c1-12(2)16(19)21-14-9-6-5-8-13(14)20-15(18)10-4-3-7-11-17/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3 |
| InChIKey | SLNQMHJKGCJJJU-UHFFFAOYSA-N |
| Mol Weight | 357.24 g/mol |
| Molecular Formula | C16H21BrO4 |
| Exact Mass | 356.062322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52boA1cuX83 |
|---|---|
| Name | 1,2-Benzenediol, o-(6-bromohexanoyl)-o'-(isobutyryl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.062322152 u |
| Formula | C16H21BrO4 |
| InChI | InChI=1S/C16H21BrO4/c1-12(2)16(19)21-14-9-6-5-8-13(14)20-15(18)10-4-3-7-11-17/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3 |
| InChIKey | SLNQMHJKGCJJJU-UHFFFAOYSA-N |
| Molecular Weight | 357.244 g/mol |
| SMILES | C1(=CC=CC=C1OC(C(C)C)=O)OC(=O)CCCCCBr |