| SpectraBase Compound ID | GLYvpvHdEPT |
|---|---|
| InChI | InChI=1S/C11H15BrO2/c1-11(2)4-9(13)8-3-7(6-12)14-10(8)5-11/h7H,3-6H2,1-2H3 |
| InChIKey | GABHWYJKSLOAQL-UHFFFAOYSA-N |
| Mol Weight | 259.14 g/mol |
| Molecular Formula | C11H15BrO2 |
| Exact Mass | 258.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ST13FTIojn |
|---|---|
| Name | 2-(Bromomethyl)-6,6-dimethyl-3,5,6,7-tetrahydrobenzofuran-4(2H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.025542721 u |
| Formula | C11H15BrO2 |
| InChI | InChI=1S/C11H15BrO2/c1-11(2)4-9(13)8-3-7(6-12)14-10(8)5-11/h7H,3-6H2,1-2H3 |
| InChIKey | GABHWYJKSLOAQL-UHFFFAOYSA-N |
| SMILES | C12=C(OC(C2)CBr)CC(CC1=O)(C)C |