| SpectraBase Compound ID | Jv3zjZ26Lm1 |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-7-9-13(8-2)20-15(18)11-10-14(17)19-12(3)16(4,5)6/h12-13H,8,10-11H2,1-6H3 |
| InChIKey | IHIFITNCJSCRFM-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITTrEsDMz7C |
|---|---|
| Name | Succinic acid, hex-4-yn-3-yl 3,3-dimethylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-7-9-13(8-2)20-15(18)11-10-14(17)19-12(3)16(4,5)6/h12-13H,8,10-11H2,1-6H3 |
| InChIKey | IHIFITNCJSCRFM-UHFFFAOYSA-N |
| SMILES | C(CC(OC(CC)C#CC)=O)C(OC(C(C)(C)C)C)=O |