| SpectraBase Compound ID | 4IWFfmWxEBZ |
|---|---|
| InChI | InChI=1S/C15H22O4S/c1-13(10-11-19-2)8-9-14(16)12-20(17,18)15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3/t13-/m1/s1 |
| InChIKey | FNJCMFJPEVLIHR-CYBMUJFWSA-N |
| Mol Weight | 298.4 g/mol |
| Molecular Formula | C15H22O4S |
| Exact Mass | 298.12388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3N4GA5gsZd8 |
|---|---|
| Name | (5R)-1-(Benzenesulfonyl)-7-methoxy-5-methyl-2-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.123880358 u |
| Formula | C15H22O4S |
| InChI | InChI=1S/C15H22O4S/c1-13(10-11-19-2)8-9-14(16)12-20(17,18)15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3/t13-/m1/s1 |
| InChIKey | FNJCMFJPEVLIHR-CYBMUJFWSA-N |
| Molecular Weight | 298.397 g/mol |
| SMILES | C(S(=O)(=O)C1=CC=CC=C1)C(=O)CC[C@](CCOC)(C)[H] |