| SpectraBase Compound ID | G7MQxijZNFN |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-4-6-7-8-11-17-13(15)9-10-14(16)18-12(3)5-2/h2,12H,4,6-11H2,1,3H3 |
| InChIKey | FTQQVONEUYVSLI-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ev2HnukTW6O |
|---|---|
| Name | Succinic acid, but-3-yn-2-yl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-4-6-7-8-11-17-13(15)9-10-14(16)18-12(3)5-2/h2,12H,4,6-11H2,1,3H3 |
| InChIKey | FTQQVONEUYVSLI-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(C(OC(C#C)C)=O)CC(OCCCCCC)=O |