| SpectraBase Compound ID | I2faymc99d6 |
|---|---|
| InChI | InChI=1S/C13H20O2S/c1-2-3-6-11-9-10-12(16-11)7-4-5-8-13(14)15/h9-10H,2-8H2,1H3,(H,14,15) |
| InChIKey | YZSVQKWPAFAIQG-UHFFFAOYSA-N |
| Mol Weight | 240.36 g/mol |
| Molecular Formula | C13H20O2S |
| Exact Mass | 240.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29lrfkuDn3f |
|---|---|
| Name | Pentanoic acid, 5-(5-butyl-2-thienyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.118401056 u |
| Formula | C13H20O2S |
| InChI | InChI=1S/C13H20O2S/c1-2-3-6-11-9-10-12(16-11)7-4-5-8-13(14)15/h9-10H,2-8H2,1H3,(H,14,15) |
| InChIKey | YZSVQKWPAFAIQG-UHFFFAOYSA-N |
| Molecular Weight | 240.361 g/mol |
| SMILES | CCCCC=1SC(=CC1)CCCCC(=O)O |