| SpectraBase Compound ID | B85JtOGEfrX |
|---|---|
| InChI | InChI=1S/C13H18S/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2 |
| InChIKey | LRLWTRNLMQFOTR-UHFFFAOYSA-N |
| Mol Weight | 206.35 g/mol |
| Molecular Formula | C13H18S |
| Exact Mass | 206.112922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9e6J6o5JPWS |
|---|---|
| Name | 2H-Thiopyran, tetrahydro-2-(2-phenylethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.112921754 u |
| Formula | C13H18S |
| InChI | InChI=1S/C13H18S/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2 |
| InChIKey | LRLWTRNLMQFOTR-UHFFFAOYSA-N |
| Molecular Weight | 206.347 g/mol |
| SMILES | C1(SCCCC1)CCC=1C=CC=CC1 |