| SpectraBase Compound ID | BNGgdFal30P |
|---|---|
| InChI | InChI=1S/C19H28O4S/c1-3-22-18(20)10-8-6-4-5-7-9-11-19(21)23-16-12-14-17(24-2)15-13-16/h12-15H,3-11H2,1-2H3 |
| InChIKey | ZCBBYXJGTFTUNO-UHFFFAOYSA-N |
| Mol Weight | 352.49 g/mol |
| Molecular Formula | C19H28O4S |
| Exact Mass | 352.170831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FpuR7hjtmdM |
|---|---|
| Name | Sebacic acid, ethyl 4-methylthiobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.170830552 u |
| Formula | C19H28O4S |
| InChI | InChI=1S/C19H28O4S/c1-3-22-18(20)10-8-6-4-5-7-9-11-19(21)23-16-12-14-17(24-2)15-13-16/h12-15H,3-11H2,1-2H3 |
| InChIKey | ZCBBYXJGTFTUNO-UHFFFAOYSA-N |
| Molecular Weight | 352.489 g/mol |
| SMILES | C(CCCCCCC(OCC)=O)CC(OC1=CC=C(SC)C=C1)=O |