| SpectraBase Compound ID | 5va6IZtrkXw |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h1,4-8H,3,9-10H2 |
| InChIKey | XGYMSTGTNFBNFT-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 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 | 3xZI0klt3gC |
|---|---|
| Name | 4-Pentynoic acid, phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h1,4-8H,3,9-10H2 |
| InChIKey | XGYMSTGTNFBNFT-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C1=CC(COC(CCC#C)=O)=CC=C1 |