| SpectraBase Compound ID | JWM63Sp9Gx0 |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-4-8-15(6-3)21-17(19)14-10-7-9-13(12-14)16(18)20-11-5-2/h7,9-10,12,15H,5-6,11H2,1-3H3 |
| InChIKey | FJWHHSIUKCPJQJ-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 | JQAAu6qrQ5v |
|---|---|
| Name | Isophthalic acid, hex-4-yn-3-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/c1-4-8-15(6-3)21-17(19)14-10-7-9-13(12-14)16(18)20-11-5-2/h7,9-10,12,15H,5-6,11H2,1-3H3 |
| InChIKey | FJWHHSIUKCPJQJ-UHFFFAOYSA-N |
| SMILES | C(OC(C1=CC(C(OCCC)=O)=CC=C1)=O)(C#CC)CC |