| SpectraBase Compound ID | 1oNBs0W0nHZ |
|---|---|
| InChI | InChI=1S/C11H14OS2/c1-14-11(13)12-9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3 |
| InChIKey | ZXEHWHVKXOXVID-UHFFFAOYSA-N |
| Mol Weight | 226.35 g/mol |
| Molecular Formula | C11H14OS2 |
| Exact Mass | 226.048607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K28S5nY2M8r |
|---|---|
| Name | (Methylthio)methanethioic acid o-(3-phenylpropyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.048607418 u |
| Formula | C11H14OS2 |
| InChI | InChI=1S/C11H14OS2/c1-14-11(13)12-9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3 |
| InChIKey | ZXEHWHVKXOXVID-UHFFFAOYSA-N |
| Molecular Weight | 226.352 g/mol |
| SMILES | C(=S)(SC)OCCCC1=CC=CC=C1 |