![4-[(2'-Mercaptoethyl)thio]-4-phenylbutan-2-one](/api/spectrum/3W7Irs6QeKz/structure.png?h=300&w=458 "4-[(2'-Mercaptoethyl)thio]-4-phenylbutan-2-one")
| SpectraBase Compound ID | CTv8TDiA37d |
|---|---|
| InChI | InChI=1S/C12H16OS2/c1-10(13)9-12(15-8-7-14)11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3 |
| InChIKey | ZEUBOIQHEHFVDE-UHFFFAOYSA-N |
| Mol Weight | 240.38 g/mol |
| Molecular Formula | C12H16OS2 |
| Exact Mass | 240.064257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3W7Irs6QeKz |
|---|---|
| Name | 4-[(2'-Mercaptoethyl)thio]-4-phenylbutan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.064257482 u |
| Formula | C12H16OS2 |
| InChI | InChI=1S/C12H16OS2/c1-10(13)9-12(15-8-7-14)11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3 |
| InChIKey | ZEUBOIQHEHFVDE-UHFFFAOYSA-N |
| Molecular Weight | 240.379 g/mol |
| SMILES | C(C(C1=CC=CC=C1)SCCS)C(=O)C |