| SpectraBase Compound ID | 3y7LKe01Kq6 |
|---|---|
| InChI | InChI=1S/C12H18OS/c1-2-6-12(13)10-14-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3 |
| InChIKey | BAVJDKWJKYWTKD-UHFFFAOYSA-N |
| Mol Weight | 210.33 g/mol |
| Molecular Formula | C12H18OS |
| Exact Mass | 210.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JKrXF3IUgo7 |
|---|---|
| Name | 1-(Benzylsulfanyl)pentan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.107836373 u |
| Formula | C12H18OS |
| InChI | InChI=1S/C12H18OS/c1-2-6-12(13)10-14-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3 |
| InChIKey | BAVJDKWJKYWTKD-UHFFFAOYSA-N |
| Molecular Weight | 210.335 g/mol |
| SMILES | C(SCC(O)CCC)C1=CC=CC=C1 |