| SpectraBase Compound ID | FzacZeLo9QS |
|---|---|
| InChI | InChI=1S/C10H15BrO2/c1-3-6-9(4-2)13-10(12)7-5-8-11/h9H,4-5,7-8H2,1-2H3 |
| InChIKey | FFPLKCIMJWWPHZ-UHFFFAOYSA-N |
| Mol Weight | 247.13 g/mol |
| Molecular Formula | C10H15BrO2 |
| Exact Mass | 246.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5DGqi8r1fHB |
|---|---|
| Name | 4-Bromobutanoic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.025542721 u |
| Formula | C10H15BrO2 |
| InChI | InChI=1S/C10H15BrO2/c1-3-6-9(4-2)13-10(12)7-5-8-11/h9H,4-5,7-8H2,1-2H3 |
| InChIKey | FFPLKCIMJWWPHZ-UHFFFAOYSA-N |
| Molecular Weight | 247.132 g/mol |
| SMILES | C(Br)CCC(OC(CC)C#CC)=O |