| SpectraBase Compound ID | Kt8crcxvwAa |
|---|---|
| InChI | InChI=1S/C14H20O3S/c1-12(2)6-4-5-11-17-18(15,16)14-9-7-13(3)8-10-14/h6-10H,4-5,11H2,1-3H3 |
| InChIKey | SNYRARLZSICSGO-UHFFFAOYSA-N |
| Mol Weight | 268.37 g/mol |
| Molecular Formula | C14H20O3S |
| Exact Mass | 268.113316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlDVnF7yEDv |
|---|---|
| Name | 4-Hexen-1-ol, 5-methyl-, 4-methylbenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.113315675 u |
| Formula | C14H20O3S |
| InChI | InChI=1S/C14H20O3S/c1-12(2)6-4-5-11-17-18(15,16)14-9-7-13(3)8-10-14/h6-10H,4-5,11H2,1-3H3 |
| InChIKey | SNYRARLZSICSGO-UHFFFAOYSA-N |
| SMILES | C=1(S(=O)(=O)OCCCC=C(C)C)C=CC(=CC1)C |