| SpectraBase Compound ID | 5ourmLVa8fC |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-5-8(4)11-9(10)6-7(2)3/h1,6,8H,2-4H3 |
| InChIKey | NDRRMESRUFTJAX-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 | GQ9DGNSgdcK |
|---|---|
| Name | 3-Methyl-2-butenoic acid, but-3-yn-2-yl 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/c1-5-8(4)11-9(10)6-7(2)3/h1,6,8H,2-4H3 |
| InChIKey | NDRRMESRUFTJAX-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | CC(C)=CC(OC(C#C)C)=O |