| SpectraBase Compound ID | KMUK8dLAOWx |
|---|---|
| InChI | InChI=1S/C10H7Br3O2/c1-5(2)10(14)15-9-7(12)3-6(11)4-8(9)13/h3-4H,1H2,2H3 |
| InChIKey | HAYWJKBZHDIUPU-UHFFFAOYSA-N |
| Mol Weight | 398.88 g/mol |
| Molecular Formula | C10H7Br3O2 |
| Exact Mass | 395.799618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cc84pONsXuE |
|---|---|
| Name | 2-Propenoic acid, 2-methyl-, 2,4,6-tribromophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.799618463 u |
| Formula | C10H7Br3O2 |
| InChI | InChI=1S/C10H7Br3O2/c1-5(2)10(14)15-9-7(12)3-6(11)4-8(9)13/h3-4H,1H2,2H3 |
| InChIKey | HAYWJKBZHDIUPU-UHFFFAOYSA-N |
| Molecular Weight | 398.876 g/mol |
| SMILES | C1(=C(C(=CC(=C1)Br)Br)OC(C(C)=C)=O)Br |