| SpectraBase Compound ID | 9Rl4h2ephTM |
|---|---|
| InChI | InChI=1S/C12H19BrO2/c1-3-8-11(4-2)15-12(14)9-6-5-7-10-13/h11H,4-7,9-10H2,1-2H3 |
| InChIKey | JRYXFDQXWHHUQM-UHFFFAOYSA-N |
| Mol Weight | 275.19 g/mol |
| Molecular Formula | C12H19BrO2 |
| Exact Mass | 274.056843 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 | FvqxYM1JUdC |
|---|---|
| Name | 6-Bromohexanoic 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 | 274.056842850 u |
| Formula | C12H19BrO2 |
| InChI | InChI=1S/C12H19BrO2/c1-3-8-11(4-2)15-12(14)9-6-5-7-10-13/h11H,4-7,9-10H2,1-2H3 |
| InChIKey | JRYXFDQXWHHUQM-UHFFFAOYSA-N |
| SMILES | C(CCCCC(OC(CC)C#CC)=O)Br |