| SpectraBase Compound ID | 45QnwZ9GEjw |
|---|---|
| InChI | InChI=1S/C15H20O5/c1-3-8-18-14(16)11-12-6-5-7-13(10-12)20-15(17)19-9-4-2/h5-7,10H,3-4,8-9,11H2,1-2H3 |
| InChIKey | JKXOVDANHCUPAS-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C15H20O5 |
| Exact Mass | 280.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2chEdSFZTZn |
|---|---|
| Name | 2-(3-(N-Propyloxycarbonyl)oxyphenyl)acetic acid, N-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.131073739 u |
| Formula | C15H20O5 |
| InChI | InChI=1S/C15H20O5/c1-3-8-18-14(16)11-12-6-5-7-13(10-12)20-15(17)19-9-4-2/h5-7,10H,3-4,8-9,11H2,1-2H3 |
| InChIKey | JKXOVDANHCUPAS-UHFFFAOYSA-N |
| SMILES | C(C(OCCC)=O)C1=CC(OC(OCCC)=O)=CC=C1 |