| SpectraBase Compound ID | AlgrOBpuvkK |
|---|---|
| InChI | InChI=1S/C12H14O2S/c1-10(13)7-8-11(14)9-15-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3 |
| InChIKey | QDRLXXFTACHQKN-UHFFFAOYSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Wbv2sgfxHn |
|---|---|
| Name | 1-(Phenylthio)hexane-2,5-dione |
| Alternate Name(s) | 1-Phenylsulfanylhexane-2,5-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c1-10(13)7-8-11(14)9-15-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3 |
| InChIKey | QDRLXXFTACHQKN-UHFFFAOYSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | C(Sc1ccccc1)C(=O)CCC(=O)C |
| SPLASH | splash10-006t-9230000000-2bb14e2690e581b0fe05 |
| Source of Spectrum | J-60-8387-1 |
| Wiley ID | 1222159 |