| SpectraBase Compound ID | 9otQVsm16lu |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-5-8-10-13(4)19-15(17)11-12-16(18)20-14(7-3)9-6-2/h13-14H,5,7-8,10-12H2,1-4H3 |
| InChIKey | BUTOEINYMOZHSB-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 | GZx0Eophtmz |
|---|---|
| Name | Succinic acid, hex-4-yn-3-yl 2-hexyl 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/c1-5-8-10-13(4)19-15(17)11-12-16(18)20-14(7-3)9-6-2/h13-14H,5,7-8,10-12H2,1-4H3 |
| InChIKey | BUTOEINYMOZHSB-UHFFFAOYSA-N |
| SMILES | C(CC(OC(CC)C#CC)=O)C(OC(C)CCCC)=O |