| SpectraBase Compound ID | Ir5wsoMC6eq |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-15-11-5-2-4-10(8-11)13(14)17-9-12-6-3-7-16-12/h2,4-5,8,12H,3,6-7,9H2,1H3 |
| InChIKey | VWTHDQDCFXPKPC-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7b3MGeMiDQV |
|---|---|
| Name | 3-Methoxybenzoic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-15-11-5-2-4-10(8-11)13(14)17-9-12-6-3-7-16-12/h2,4-5,8,12H,3,6-7,9H2,1H3 |
| InChIKey | VWTHDQDCFXPKPC-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1(OCCC1)COC(C1=CC=CC(=C1)OC)=O |