| SpectraBase Compound ID | Buey7x3IqDf |
|---|---|
| InChI | InChI=1S/C5H6OS/c1-4-2-3-5(6)7-4/h2-4H,1H3 |
| InChIKey | QDQVRZPVOVZFMA-UHFFFAOYSA-N |
| Mol Weight | 114.16 g/mol |
| Molecular Formula | C5H6OS |
| Exact Mass | 114.013936 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2JGIpXcoKw6 |
|---|---|
| Name | 2(5H)-Thiophenone, 5-methyl- |
| CAS Registry Number | 7210-64-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H6OS |
| InChI | InChI=1S/C5H6OS/c1-4-2-3-5(6)7-4/h2-4H,1H3 |
| InChIKey | QDQVRZPVOVZFMA-UHFFFAOYSA-N |
| Molecular Weight | 114.162 g/mol |
| SMILES | C1(SC(C=C1)C)=O |
| SPLASH | splash10-03dr-9300000000-30a463d8ca38ebc59999 |
| Source of Spectrum | T-66-107-0 |
| Synonyms | 2-Methyl-2H-thiophen-5-one 5-Methyl-2(5H)-thiophenone |
| Wiley ID | 3113 |