| SpectraBase Compound ID | 4FuxtWcXHbu |
|---|---|
| InChI | InChI=1S/C16H24O3S/c1-16(2,3)15(18)19-11-7-5-4-6-9-13(17)14-10-8-12-20-14/h8,10,12H,4-7,9,11H2,1-3H3 |
| InChIKey | RIZRHKUMJPAVMI-UHFFFAOYSA-N |
| Mol Weight | 296.43 g/mol |
| Molecular Formula | C16H24O3S |
| Exact Mass | 296.144616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7InLOSrvv2I |
|---|---|
| Name | 7-oxo-7-(2-Thienyl)heptyl pivalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.144615804 u |
| Formula | C16H24O3S |
| InChI | InChI=1S/C16H24O3S/c1-16(2,3)15(18)19-11-7-5-4-6-9-13(17)14-10-8-12-20-14/h8,10,12H,4-7,9,11H2,1-3H3 |
| InChIKey | RIZRHKUMJPAVMI-UHFFFAOYSA-N |
| SMILES | C(C(C)(C)C)(=O)OCCCCCCC(C1=CC=CS1)=O |