| SpectraBase Compound ID | HFRgNX1oys0 |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-10-4-7-12(8-5-10)11(2)6-9-13(14)15-3/h4-5,7-8H,2,6,9H2,1,3H3 |
| InChIKey | DSZCYIZYIAHVAR-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdUZYxaKOq9 |
|---|---|
| Name | 4-(4-Methylphenyl)-4-pentenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-10-4-7-12(8-5-10)11(2)6-9-13(14)15-3/h4-5,7-8H,2,6,9H2,1,3H3 |
| InChIKey | DSZCYIZYIAHVAR-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(C=1C=CC(=CC1)C)(CCC(=O)OC)=C |