| SpectraBase Compound ID | A7XERUET2J1 |
|---|---|
| InChI | InChI=1S/C13H16O2S/c14-12-9-5-2-6-10-13(12)16(15)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2 |
| InChIKey | FLEDHMNMOXXYPJ-UHFFFAOYSA-N |
| Mol Weight | 236.33 g/mol |
| Molecular Formula | C13H16O2S |
| Exact Mass | 236.087101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8L3QUL1tBW6 |
|---|---|
| Name | 2-(Phenylsulfinyl)cycloheptanone |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O2S |
| InChI | InChI=1S/C13H16O2S/c14-12-9-5-2-6-10-13(12)16(15)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2 |
| InChIKey | FLEDHMNMOXXYPJ-UHFFFAOYSA-N |
| Molecular Weight | 236.329 g/mol |
| SMILES | C1(S(=O)c2ccccc2)C(=O)CCCCC1 |
| SPLASH | splash10-0bt9-9800000000-3fa7770183f2ab6a0b77 |
| Source of Spectrum | AJ-67-1416-11 |
| Wiley ID | 772664 |