| SpectraBase Compound ID | EyHCvoZG5Mh |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-3-5-6-12-7-9-13(10-8-12)14(15)16-11-4-2/h2,7-10H,3,5-6,11H2,1H3 |
| InChIKey | YAWOJLNOMXTBNT-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xcSHslGlKp |
|---|---|
| Name | 4-Butylbenzoic acid, propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-3-5-6-12-7-9-13(10-8-12)14(15)16-11-4-2/h2,7-10H,3,5-6,11H2,1H3 |
| InChIKey | YAWOJLNOMXTBNT-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC#C)=O)CCCC |