| SpectraBase Compound ID | D2OgL5BhP4W |
|---|---|
| InChI | InChI=1S/C18H26O4S/c1-5-8-13-21-16(19)18(6-2,7-3)17(20)22-14-11-9-10-12-15(14)23-4/h9-12H,5-8,13H2,1-4H3 |
| InChIKey | YEXOVYVKSIKZHJ-UHFFFAOYSA-N |
| Mol Weight | 338.46 g/mol |
| Molecular Formula | C18H26O4S |
| Exact Mass | 338.15518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J199QvUksIJ |
|---|---|
| Name | Diethylmalonic acid, butyl 2-methylthiophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.155180487 u |
| Formula | C18H26O4S |
| InChI | InChI=1S/C18H26O4S/c1-5-8-13-21-16(19)18(6-2,7-3)17(20)22-14-11-9-10-12-15(14)23-4/h9-12H,5-8,13H2,1-4H3 |
| InChIKey | YEXOVYVKSIKZHJ-UHFFFAOYSA-N |
| Molecular Weight | 338.462 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OC1=C(C=CC=C1)SC)=O)CC |