| SpectraBase Compound ID | 5XDR13kDiCZ |
|---|---|
| InChI | InChI=1S/C15H22O2S/c1-11(2)9-17-15(16)13-7-5-6-8-14(13)18-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
| InChIKey | DGVNKUKXMRWPMP-UHFFFAOYSA-N |
| Mol Weight | 266.4 g/mol |
| Molecular Formula | C15H22O2S |
| Exact Mass | 266.134051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KD2ARjF6JZo |
|---|---|
| Name | Benzoic acid, 2-(2-methylpropyl)thio-, 2-methylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.134051120 u |
| Formula | C15H22O2S |
| InChI | InChI=1S/C15H22O2S/c1-11(2)9-17-15(16)13-7-5-6-8-14(13)18-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
| InChIKey | DGVNKUKXMRWPMP-UHFFFAOYSA-N |
| Molecular Weight | 266.399 g/mol |
| SMILES | C1(=CC=CC=C1C(OCC(C)C)=O)SCC(C)C |