| SpectraBase Compound ID | GycsnxV7vD4 |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-3-5-6-8-11-9(10)7-4-2/h1,5-6H,4,7-8H2,2H3 |
| InChIKey | UTBJMMZGNZOAAW-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 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 | LCKMMJYlv0q |
|---|---|
| Name | Butanoic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-3-5-6-8-11-9(10)7-4-2/h1,5-6H,4,7-8H2,2H3 |
| InChIKey | UTBJMMZGNZOAAW-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | CCCC(=O)OCC=CC#C |