| SpectraBase Compound ID | 45rSa1SvJWW |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-4-6-7-8-11-17-13(15)9-10-14(16)18-12(3)5-2/h2,4,12H,1,6-11H2,3H3 |
| InChIKey | UTGIIJOFKANWHB-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEPQTMzl0Uf |
|---|---|
| Name | Succinic acid, but-3-yn-2-yl hex-5-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-4-6-7-8-11-17-13(15)9-10-14(16)18-12(3)5-2/h2,4,12H,1,6-11H2,3H3 |
| InChIKey | UTGIIJOFKANWHB-UHFFFAOYSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C(CC(OC(C#C)C)=O)C(OCCCCC=C)=O |