| SpectraBase Compound ID | C1t8YFp0u2x |
|---|---|
| InChI | InChI=1S/C12H11BrO3/c1-2-3-12(15)16-8-11(14)9-4-6-10(13)7-5-9/h2-7H,8H2,1H3/b3-2+ |
| InChIKey | VQNREWVOQZVVKC-NSCUHMNNSA-N |
| Mol Weight | 283.12 g/mol |
| Molecular Formula | C12H11BrO3 |
| Exact Mass | 281.989157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ktjsLAdB14 |
|---|---|
| Name | Crotonic acid, trans-p-bromophenacyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.989157211 u |
| Formula | C12H11BrO3 |
| InChI | InChI=1S/C12H11BrO3/c1-2-3-12(15)16-8-11(14)9-4-6-10(13)7-5-9/h2-7H,8H2,1H3/b3-2+ |
| InChIKey | VQNREWVOQZVVKC-NSCUHMNNSA-N |
| Molecular Weight | 283.121 g/mol |
| SMILES | C=1C(=CC=C(C1)Br)C(COC(\C=C\C)=O)=O |