| SpectraBase Compound ID | 5tS5V1f8ZU7 |
|---|---|
| InChI | InChI=1S/C12H13Br/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-4H2,1H3 |
| InChIKey | OVADVUVTFXTXOA-UHFFFAOYSA-N |
| Mol Weight | 237.14 g/mol |
| Molecular Formula | C12H13Br |
| Exact Mass | 236.020063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FznoDZM9kTT |
|---|---|
| Name | Benzene, 1-bromo-4-(1-hexyn-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.020063419 u |
| Formula | C12H13Br |
| InChI | InChI=1S/C12H13Br/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-4H2,1H3 |
| InChIKey | OVADVUVTFXTXOA-UHFFFAOYSA-N |
| Molecular Weight | 237.140 g/mol |
| SMILES | C1=C(C=CC(=C1)Br)C#CCCCC |