| SpectraBase Compound ID | LlZOXzJdslv |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-14-10-6-5-9-12(13)15-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3 |
| InChIKey | WOQCDQYSIFZYHL-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Gftfr4C49h |
|---|---|
| Name | Pentanoic acid, 5-methoxy-, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-14-10-6-5-9-12(13)15-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3 |
| InChIKey | WOQCDQYSIFZYHL-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(OC1=CC=CC=C1)(CCCCOC)=O |