| SpectraBase Compound ID | 3kHNq1dvpRs |
|---|---|
| InChI | InChI=1S/C15H16O5/c1-4-11(2)19-14(16)9-10-15(17)20-13-8-6-5-7-12(13)18-3/h1,5-8,11H,9-10H2,2-3H3 |
| InChIKey | VHAPNBSNNMBLQZ-UHFFFAOYSA-N |
| Mol Weight | 276.29 g/mol |
| Molecular Formula | C15H16O5 |
| Exact Mass | 276.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9u4aTVcBUH8 |
|---|---|
| Name | Succinic acid, but-3-yn-2-yl 2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.099773610 u |
| Formula | C15H16O5 |
| InChI | InChI=1S/C15H16O5/c1-4-11(2)19-14(16)9-10-15(17)20-13-8-6-5-7-12(13)18-3/h1,5-8,11H,9-10H2,2-3H3 |
| InChIKey | VHAPNBSNNMBLQZ-UHFFFAOYSA-N |
| Molecular Weight | 276.288 g/mol |
| SMILES | C(CC(OC(C#C)C)=O)C(OC1=CC=CC=C1OC)=O |