| SpectraBase Compound ID | KdjABRBsggy |
|---|---|
| InChI | InChI=1S/C9H12OS/c10-9-6-1-5-2-7(4-6)11-8(9)3-5/h5-8H,1-4H2/t5-,6+,7-,8+/m1/s1 |
| InChIKey | PHRHIGFHKPECKC-CWKFCGSDSA-N |
| Mol Weight | 168.25 g/mol |
| Molecular Formula | C9H12OS |
| Exact Mass | 168.060886 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BaO9nM6lcRp |
|---|---|
| Name | 2-Thiaadamantan-4-one |
| CAS Registry Number | 36223-95-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12OS |
| InChI | InChI=1S/C9H12OS/c10-9-6-1-5-2-7(4-6)11-8(9)3-5/h5-8H,1-4H2/t5-,6+,7-,8+/m1/s1 |
| InChIKey | PHRHIGFHKPECKC-CWKFCGSDSA-N |
| Molecular Weight | 168.254 g/mol |
| SMILES | C1[C@]2(S[C@@]3(C([C@](C2)(C[C@]1(C3)[H])[H])=O)[H])[H] |
| SPLASH | splash10-00ke-9300000000-826175816f27746fee49 |
| Wiley ID | 1475344 |