| SpectraBase Compound ID | E7d6W4faq9Y |
|---|---|
| InChI | InChI=1S/C17H26O4S/c1-2-3-4-5-9-12-17(16(19)13-14-18)22(20,21)15-10-7-6-8-11-15/h6-8,10-11,17-18H,2-5,9,12-14H2,1H3 |
| InChIKey | VTGSNBXFOVBOBA-UHFFFAOYSA-N |
| Mol Weight | 326.45 g/mol |
| Molecular Formula | C17H26O4S |
| Exact Mass | 326.15518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69NWJZHLHRI |
|---|---|
| Name | 4-(Phenylsulfonyl)-1-hydroxyundecan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.155180487 u |
| Formula | C17H26O4S |
| InChI | InChI=1S/C17H26O4S/c1-2-3-4-5-9-12-17(16(19)13-14-18)22(20,21)15-10-7-6-8-11-15/h6-8,10-11,17-18H,2-5,9,12-14H2,1H3 |
| InChIKey | VTGSNBXFOVBOBA-UHFFFAOYSA-N |
| Molecular Weight | 326.451 g/mol |
| SMILES | C(S(=O)(=O)C=1C=CC=CC1)(C(=O)CCO)CCCCCCC |