| SpectraBase Compound ID | GzKmYGPrm6p |
|---|---|
| InChI | InChI=1S/C12H14O3S/c1-10(13)15-8-7-11(14)9-16-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3 |
| InChIKey | OSCXWJFSONCESL-UHFFFAOYSA-N |
| Mol Weight | 238.3 g/mol |
| Molecular Formula | C12H14O3S |
| Exact Mass | 238.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6jdAeKwHidl |
|---|---|
| Name | 1-Phenylthio-4-acetoxy-2-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.066365482 u |
| Formula | C12H14O3S |
| InChI | InChI=1S/C12H14O3S/c1-10(13)15-8-7-11(14)9-16-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3 |
| InChIKey | OSCXWJFSONCESL-UHFFFAOYSA-N |
| Molecular Weight | 238.301 g/mol |
| SMILES | CC(OCCC(CSC=1C=CC=CC1)=O)=O |