| SpectraBase Compound ID | 1Kt3G1rnJbI |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-10-4-2-5-11(8-10)13(14)16-9-12-6-3-7-15-12/h2,4-5,8,12H,3,6-7,9H2,1H3 |
| InChIKey | BOVDTHGPHGMHAT-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KHng1fZiP3n |
|---|---|
| Name | m-Toluic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-10-4-2-5-11(8-10)13(14)16-9-12-6-3-7-15-12/h2,4-5,8,12H,3,6-7,9H2,1H3 |
| InChIKey | BOVDTHGPHGMHAT-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C1(OCCC1)COC(C1=CC=CC(=C1)C)=O |