| SpectraBase Compound ID | IH3cw12thdr |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-11-7-9-12(10-8-11)5-3-4-6-13(14)15-2/h7-10H,4,6H2,1-2H3 |
| InChIKey | RTBGCICIAHBNRT-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SJ4RTXgk7B |
|---|---|
| Name | 5-(p-Tolyl)-pent-4-ynoic acid - methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-11-7-9-12(10-8-11)5-3-4-6-13(14)15-2/h7-10H,4,6H2,1-2H3 |
| InChIKey | RTBGCICIAHBNRT-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C(#CCCC(=O)OC)C=1C=CC(=CC1)C |