| SpectraBase Compound ID | A1JZ2krI1th |
|---|---|
| InChI | InChI=1S/C12H16O2S/c1-2-3-9-14-12(13)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 |
| InChIKey | MPGIAEVWEVYNKM-UHFFFAOYSA-N |
| Mol Weight | 224.32 g/mol |
| Molecular Formula | C12H16O2S |
| Exact Mass | 224.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQqiD0fD9Fa |
|---|---|
| Name | (Phenylthio)acetic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.087100927 u |
| Formula | C12H16O2S |
| InChI | InChI=1S/C12H16O2S/c1-2-3-9-14-12(13)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 |
| InChIKey | MPGIAEVWEVYNKM-UHFFFAOYSA-N |
| Molecular Weight | 224.318 g/mol |
| SMILES | C1=CC=C(C=C1)SCC(OCCCC)=O |