| SpectraBase Compound ID | I1v76fHYRfh |
|---|---|
| InChI | InChI=1S/C18H17BrO2/c1-18(19,16-12-6-3-7-13-16)17(20)21-14-8-11-15-9-4-2-5-10-15/h2-13H,14H2,1H3/b11-8+ |
| InChIKey | CGFYRORHFFKLPR-DHZHZOJOSA-N |
| Mol Weight | 345.24 g/mol |
| Molecular Formula | C18H17BrO2 |
| Exact Mass | 344.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNT2oe8oudE |
|---|---|
| Name | Cinnamyl 2-bromo-2-phenylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.041192785 u |
| Formula | C18H17BrO2 |
| InChI | InChI=1S/C18H17BrO2/c1-18(19,16-12-6-3-7-13-16)17(20)21-14-8-11-15-9-4-2-5-10-15/h2-13H,14H2,1H3/b11-8+ |
| InChIKey | CGFYRORHFFKLPR-DHZHZOJOSA-N |
| Molecular Weight | 345.236 g/mol |
| SMILES | C(C(=O)OC\C=C\C=1C=CC=CC1)(C1=CC=CC=C1)(Br)C |