| SpectraBase Compound ID | JpXiXGYQniW |
|---|---|
| InChI | InChI=1S/C15H16O4/c1-4-9-18-14(16)12-7-6-8-13(10-12)15(17)19-11(3)5-2/h2,6-8,10-11H,4,9H2,1,3H3 |
| InChIKey | YVXSZFPQXUADMW-UHFFFAOYSA-N |
| Mol Weight | 260.29 g/mol |
| Molecular Formula | C15H16O4 |
| Exact Mass | 260.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hl3OWeMkfIl |
|---|---|
| Name | Isophthalic acid, but-3-yn-2-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.104858991 u |
| Formula | C15H16O4 |
| InChI | InChI=1S/C15H16O4/c1-4-9-18-14(16)12-7-6-8-13(10-12)15(17)19-11(3)5-2/h2,6-8,10-11H,4,9H2,1,3H3 |
| InChIKey | YVXSZFPQXUADMW-UHFFFAOYSA-N |
| Molecular Weight | 260.289 g/mol |
| SMILES | C1=C(C=CC=C1C(OCCC)=O)C(OC(C#C)C)=O |