| SpectraBase Compound ID | BhY8wLNKSKo |
|---|---|
| InChI | InChI=1S/C13H16O2S/c1-11(2)8-9-15-13(14)10-16-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3 |
| InChIKey | OYZUVMGOIHHXCB-UHFFFAOYSA-N |
| Mol Weight | 236.33 g/mol |
| Molecular Formula | C13H16O2S |
| Exact Mass | 236.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4krb9TDBmz |
|---|---|
| Name | (Phenylthio)acetic acid, 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.087100927 u |
| Formula | C13H16O2S |
| InChI | InChI=1S/C13H16O2S/c1-11(2)8-9-15-13(14)10-16-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3 |
| InChIKey | OYZUVMGOIHHXCB-UHFFFAOYSA-N |
| Molecular Weight | 236.329 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(OCC=C(C)C)=O |