| SpectraBase Compound ID | 9du8LL2iquM |
|---|---|
| InChI | InChI=1S/C11H11BrO2/c1-2-8-14-11(13)10(12)9-6-4-3-5-7-9/h2-7,10H,1,8H2 |
| InChIKey | KZHSQCDFJGLBMW-UHFFFAOYSA-N |
| Mol Weight | 255.11 g/mol |
| Molecular Formula | C11H11BrO2 |
| Exact Mass | 253.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3heoCKk8Ea |
|---|---|
| Name | 2-Bromo-2-phenyl-acetic acid allyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.994242592 u |
| Formula | C11H11BrO2 |
| InChI | InChI=1S/C11H11BrO2/c1-2-8-14-11(13)10(12)9-6-4-3-5-7-9/h2-7,10H,1,8H2 |
| InChIKey | KZHSQCDFJGLBMW-UHFFFAOYSA-N |
| Molecular Weight | 255.111 g/mol |
| SMILES | C(C(C=1C=CC=CC1)Br)(=O)OCC=C |