![2-Butanol, 4-[(phenylmethyl)thio]-, (R)-](/api/spectrum/FDdQ7XIIlei/structure.png?h=300&w=458 "2-Butanol, 4-[(phenylmethyl)thio]-, (R)-")
| SpectraBase Compound ID | 9ETN0AJ97z6 |
|---|---|
| InChI | InChI=1S/C11H16OS/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m1/s1 |
| InChIKey | QNLMCPIIUNMSQO-SNVBAGLBSA-N |
| Mol Weight | 196.31 g/mol |
| Molecular Formula | C11H16OS |
| Exact Mass | 196.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDdQ7XIIlei |
|---|---|
| Name | 2-Butanol, 4-[(phenylmethyl)thio]-, (R)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.092186308 u |
| Formula | C11H16OS |
| InChI | InChI=1S/C11H16OS/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m1/s1 |
| InChIKey | QNLMCPIIUNMSQO-SNVBAGLBSA-N |
| Molecular Weight | 196.308 g/mol |
| SMILES | C(SCC=1C=CC=CC1)C[C@](O)(C)[H] |