| SpectraBase Compound ID | KmX3WorTEdk |
|---|---|
| InChI | InChI=1S/C7H8O2/c1-3-5-7(8)9-6-4-2/h4H,2,6H2,1H3 |
| InChIKey | VELKDUKZZPGDRB-UHFFFAOYSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EQtorcBikRO |
|---|---|
| Name | Allyl 2-butynaoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.052429496 u |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c1-3-5-7(8)9-6-4-2/h4H,2,6H2,1H3 |
| InChIKey | VELKDUKZZPGDRB-UHFFFAOYSA-N |
| Molecular Weight | 124.139 g/mol |
| SMILES | C(#CC)C(=O)OCC=C |