| SpectraBase Compound ID | 18BleCZ783B |
|---|---|
| InChI | InChI=1S/C9H16O4S/c1-3-5-12-8(10)7-14-9(11)13-6-4-2/h3-7H2,1-2H3 |
| InChIKey | BNOPUUARNUUFPA-UHFFFAOYSA-N |
| Mol Weight | 220.28 g/mol |
| Molecular Formula | C9H16O4S |
| Exact Mass | 220.07693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAuSSlhwlGj |
|---|---|
| Name | Thioglycolic acid, S-(N-propyloxycarbonyl)-, N-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.076930165 u |
| Formula | C9H16O4S |
| InChI | InChI=1S/C9H16O4S/c1-3-5-12-8(10)7-14-9(11)13-6-4-2/h3-7H2,1-2H3 |
| InChIKey | BNOPUUARNUUFPA-UHFFFAOYSA-N |
| Molecular Weight | 220.283 g/mol |
| SMILES | C(SC(OCCC)=O)C(OCCC)=O |