| SpectraBase Compound ID | 4TKL8wreaLl |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-4-9(2)15-12(13)10-6-5-7-11(8-10)14-3/h1,5-9H,2-3H3 |
| InChIKey | LZYKATSAEGECCP-UHFFFAOYSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 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 | 7zsGPTnL794 |
|---|---|
| Name | m-Anisic 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 | 204.078644243 u |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c1-4-9(2)15-12(13)10-6-5-7-11(8-10)14-3/h1,5-9H,2-3H3 |
| InChIKey | LZYKATSAEGECCP-UHFFFAOYSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C(=O)(OC(C)C#C)C=1C=C(OC)C=CC1 |