| SpectraBase Compound ID | 5pbEVlSzRIg |
|---|---|
| InChI | InChI=1S/C12H16O3S/c1-2-14-8-9-15-12(13)10-16-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3 |
| InChIKey | LVJAZWRUYYLLQJ-UHFFFAOYSA-N |
| Mol Weight | 240.32 g/mol |
| Molecular Formula | C12H16O3S |
| Exact Mass | 240.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKhUfjxzdGm |
|---|---|
| Name | Phenylthioacetic acid, 2-ethoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.082015546 u |
| Formula | C12H16O3S |
| InChI | InChI=1S/C12H16O3S/c1-2-14-8-9-15-12(13)10-16-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3 |
| InChIKey | LVJAZWRUYYLLQJ-UHFFFAOYSA-N |
| Molecular Weight | 240.317 g/mol |
| SMILES | C(CSC1=CC=CC=C1)(OCCOCC)=O |