| SpectraBase Compound ID | gmtdimbvaY |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-7(10)4-5-8(11)9-3-2-6-12-9/h2-3,6-7,10H,4-5H2,1H3 |
| InChIKey | JRERFWACAJOTRP-UHFFFAOYSA-N |
| Mol Weight | 184.25 g/mol |
| Molecular Formula | C9H12O2S |
| Exact Mass | 184.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FQNi6TYpzl |
|---|---|
| Name | 4-Hydroxy-1-(2'-thienyl)-1-pentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.055800798 u |
| Formula | C9H12O2S |
| InChI | InChI=1S/C9H12O2S/c1-7(10)4-5-8(11)9-3-2-6-12-9/h2-3,6-7,10H,4-5H2,1H3 |
| InChIKey | JRERFWACAJOTRP-UHFFFAOYSA-N |
| Molecular Weight | 184.253 g/mol |
| SMILES | C=1(SC=CC1)C(=O)CCC(O)C |