| SpectraBase Compound ID | J2laNajGbOT |
|---|---|
| InChI | InChI=1S/C13H10Br2O2/c1-3-6-17-13-11(14)7-10(8-12(13)15)5-4-9(2)16/h1,4-5,7-8H,6H2,2H3/b5-4+ |
| InChIKey | OPKPMJHNGYTXAR-SNAWJCMRSA-N |
| Mol Weight | 358.03 g/mol |
| Molecular Formula | C13H10Br2O2 |
| Exact Mass | 355.904756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KC8v6N03XSn |
|---|---|
| Name | 1-Acetyl-2-(4'-propargyloxy-3',5'-dibromophenyl)ethylene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.904755560 u |
| Formula | C13H10Br2O2 |
| InChI | InChI=1S/C13H10Br2O2/c1-3-6-17-13-11(14)7-10(8-12(13)15)5-4-9(2)16/h1,4-5,7-8H,6H2,2H3/b5-4+ |
| InChIKey | OPKPMJHNGYTXAR-SNAWJCMRSA-N |
| Molecular Weight | 358.029 g/mol |
| SMILES | C=1(C(=CC(\C=C\C(=O)C)=CC1Br)Br)OCC#C |