| SpectraBase Compound ID | 4ut32cAFVZK |
|---|---|
| InChI | InChI=1S/C15H18O2/c1-3-8-14(4-2)17-15(16)12-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,11-12H2,1-2H3 |
| InChIKey | RLHCYVPRHPXILZ-UHFFFAOYSA-N |
| Mol Weight | 230.31 g/mol |
| Molecular Formula | C15H18O2 |
| Exact Mass | 230.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7YvuRKwF70B |
|---|---|
| Name | 3-Phenylpropionic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.130679818 u |
| Formula | C15H18O2 |
| InChI | InChI=1S/C15H18O2/c1-3-8-14(4-2)17-15(16)12-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,11-12H2,1-2H3 |
| InChIKey | RLHCYVPRHPXILZ-UHFFFAOYSA-N |
| Molecular Weight | 230.307 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(OC(CC)C#CC)=O |