| SpectraBase Compound ID | Kl0wrg82oaB |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-4-9-13(6-3)21-17(19)15-11-8-7-10-14(15)16(18)20-12-5-2/h7-8,10-11,13H,5-6,12H2,1-3H3 |
| InChIKey | QCBUAEMWBXISFM-UHFFFAOYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C17H20O4 |
| Exact Mass | 288.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35hkgbc6G5d |
|---|---|
| Name | Phthalic acid, hex-2-yn-4-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.136159120 u |
| Formula | C17H20O4 |
| InChI | InChI=1S/C17H20O4/c1-4-9-13(6-3)21-17(19)15-11-8-7-10-14(15)16(18)20-12-5-2/h7-8,10-11,13H,5-6,12H2,1-3H3 |
| InChIKey | QCBUAEMWBXISFM-UHFFFAOYSA-N |
| SMILES | C(C1=C(C=CC=C1)C(=O)OCCC)(OC(CC)C#CC)=O |