| SpectraBase Compound ID | IPk6eD850iX |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-6(2)8(10)9(11)7-4-3-5-12-7/h3-6,8,10H,1-2H3 |
| InChIKey | KMMOGBPIKPMNPM-UHFFFAOYSA-N |
| Mol Weight | 184.25 g/mol |
| Molecular Formula | C9H12O2S |
| Exact Mass | 184.055801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jx5QDqx4fQC |
|---|---|
| Name | 2-Hydroxy-3-methyl-1-(thiophen-2-yl)butan-1-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O2S |
| InChI | InChI=1S/C9H12O2S/c1-6(2)8(10)9(11)7-4-3-5-12-7/h3-6,8,10H,1-2H3 |
| InChIKey | KMMOGBPIKPMNPM-UHFFFAOYSA-N |
| Molecular Weight | 184.253 g/mol |
| SMILES | OC(C(c1sccc1)=O)C(C)C |
| SPLASH | splash10-001i-0900000000-d82a72c93cca469ea53c |
| Source of Spectrum | F4-43-196-17c |
| Wiley ID | 1674973 |