| SpectraBase Compound ID | 2Y8kV137gSj |
|---|---|
| InChI | InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ |
| InChIKey | FACAUSJJVBMWLV-JXMROGBWSA-N |
| Mol Weight | 170.31 g/mol |
| Molecular Formula | C10H18S |
| Exact Mass | 170.112922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXiMlfXzC2e |
|---|---|
| Name | Thiogeraniol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.112921754 u |
| Formula | C10H18S |
| InChI | InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ |
| InChIKey | FACAUSJJVBMWLV-JXMROGBWSA-N |
| Molecular Weight | 170.314 g/mol |
| SMILES | CC(=CCC\C(=C\CS)C)C |