| SpectraBase Compound ID | EBPNDH2RHG2 |
|---|---|
| InChI | InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-9-10-17(19)15-22(20,21)18-13-11-16(2)12-14-18/h11-14H,3-10,15H2,1-2H3 |
| InChIKey | CTTAQJUMJCJDGI-UHFFFAOYSA-N |
| Mol Weight | 324.48 g/mol |
| Molecular Formula | C18H28O3S |
| Exact Mass | 324.175916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EebHg3DgA7q |
|---|---|
| Name | 1-Tosyl-2-undecanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.175915933 u |
| Formula | C18H28O3S |
| InChI | InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-9-10-17(19)15-22(20,21)18-13-11-16(2)12-14-18/h11-14H,3-10,15H2,1-2H3 |
| InChIKey | CTTAQJUMJCJDGI-UHFFFAOYSA-N |
| Molecular Weight | 324.479 g/mol |
| SMILES | C(C(CCCCCCCCC)=O)S(=O)(=O)C=1C=CC(C)=CC1 |