| SpectraBase Compound ID | 7g6ybm76ejA |
|---|---|
| InChI | InChI=1S/C15H22OS/c1-5-6-12-14(15(2,3)4)16-17-13-10-8-7-9-11-13/h5,7-11,14H,1,6,12H2,2-4H3 |
| InChIKey | MLLYFAXMLGIFSO-UHFFFAOYSA-N |
| Mol Weight | 250.4 g/mol |
| Molecular Formula | C15H22OS |
| Exact Mass | 250.139137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEzQy98NOVH |
|---|---|
| Name | (2,2-Dimethyl-6-hepten-3-yl)benzenesulfenic acid o-ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.139136501 u |
| Formula | C15H22OS |
| InChI | InChI=1S/C15H22OS/c1-5-6-12-14(15(2,3)4)16-17-13-10-8-7-9-11-13/h5,7-11,14H,1,6,12H2,2-4H3 |
| InChIKey | MLLYFAXMLGIFSO-UHFFFAOYSA-N |
| Molecular Weight | 250.400 g/mol |
| SMILES | C1(SOC(C(C)(C)C)CCC=C)=CC=CC=C1 |