| SpectraBase Compound ID | 1Ds12yLANYY |
|---|---|
| InChI | InChI=1S/C9H12OS/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3 |
| InChIKey | KJMPRCVRMAHTBR-UHFFFAOYSA-N |
| Mol Weight | 168.25 g/mol |
| Molecular Formula | C9H12OS |
| Exact Mass | 168.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOPPjFzYEqI |
|---|---|
| Name | 2-Valerylthiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.060886179 u |
| Formula | C9H12OS |
| InChI | InChI=1S/C9H12OS/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3 |
| InChIKey | KJMPRCVRMAHTBR-UHFFFAOYSA-N |
| Molecular Weight | 168.254 g/mol |
| SMILES | CCCCC(C1=CC=CS1)=O |