![1,4-Dithiaspiro[4.5]dec-8-yl benzoate](/api/spectrum/IWKtt9LW6b2/structure.png?h=300&w=458 "1,4-Dithiaspiro[4.5]dec-8-yl benzoate")
| SpectraBase Compound ID | DdKZIchTtOb |
|---|---|
| InChI | InChI=1S/C15H18O2S2/c16-14(12-4-2-1-3-5-12)17-13-6-8-15(9-7-13)18-10-11-19-15/h1-5,13H,6-11H2 |
| InChIKey | AHRRFTHHCIRRBH-UHFFFAOYSA-N |
| Mol Weight | 294.43 g/mol |
| Molecular Formula | C15H18O2S2 |
| Exact Mass | 294.074822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWKtt9LW6b2 |
|---|---|
| Name | 1,4-Dithiaspiro[4.5]dec-8-yl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.074822166 u |
| Formula | C15H18O2S2 |
| InChI | InChI=1S/C15H18O2S2/c16-14(12-4-2-1-3-5-12)17-13-6-8-15(9-7-13)18-10-11-19-15/h1-5,13H,6-11H2 |
| InChIKey | AHRRFTHHCIRRBH-UHFFFAOYSA-N |
| SMILES | C12(CCC(OC(=O)C3=CC=CC=C3)CC1)SCCS2 |