| SpectraBase Compound ID | 3E8cSvIVZId |
|---|---|
| InChI | InChI=1S/C13H15BrO2/c1-3-4-5-12(13(15)16-2)10-6-8-11(14)9-7-10/h3-4,6-9,12H,5H2,1-2H3/b4-3+ |
| InChIKey | RBVGEJURQFTTHY-ONEGZZNKSA-N |
| Mol Weight | 283.17 g/mol |
| Molecular Formula | C13H15BrO2 |
| Exact Mass | 282.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2MwKpfx9P0x |
|---|---|
| Name | Methyl 2-(p-bromophenyl)hex-4-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.025542721 u |
| Formula | C13H15BrO2 |
| InChI | InChI=1S/C13H15BrO2/c1-3-4-5-12(13(15)16-2)10-6-8-11(14)9-7-10/h3-4,6-9,12H,5H2,1-2H3/b4-3+ |
| InChIKey | RBVGEJURQFTTHY-ONEGZZNKSA-N |
| SMILES | C(C(C\C=C\C)C=1C=CC(=CC1)Br)(=O)OC |