| SpectraBase Compound ID | 92p4xKI6tx9 |
|---|---|
| InChI | InChI=1S/C14H18O4S/c1-3-10-17-13(15)8-9-14(16)18-11-6-4-5-7-12(11)19-2/h4-7H,3,8-10H2,1-2H3 |
| InChIKey | CBXGLVXUUZBREX-UHFFFAOYSA-N |
| Mol Weight | 282.35 g/mol |
| Molecular Formula | C14H18O4S |
| Exact Mass | 282.09258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zQSRxrqkC5 |
|---|---|
| Name | Succinic acid, 2-methylthiophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.092580230 u |
| Formula | C14H18O4S |
| InChI | InChI=1S/C14H18O4S/c1-3-10-17-13(15)8-9-14(16)18-11-6-4-5-7-12(11)19-2/h4-7H,3,8-10H2,1-2H3 |
| InChIKey | CBXGLVXUUZBREX-UHFFFAOYSA-N |
| SMILES | C(OC1=CC=CC=C1SC)(=O)CCC(OCCC)=O |