| SpectraBase Compound ID | FeyF15zMZUw |
|---|---|
| InChI | InChI=1S/C14H18O4S/c1-3-9-17-13(15)11-5-7-12(8-6-11)19-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | LMASEMMDXXTSKM-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 | INInFshGpUd |
|---|---|
| Name | 4-Mercaptobenzoic 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 | 282.092580230 u |
| Formula | C14H18O4S |
| InChI | InChI=1S/C14H18O4S/c1-3-9-17-13(15)11-5-7-12(8-6-11)19-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | LMASEMMDXXTSKM-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(=O)OCCC)SC(OCCC)=O |