| SpectraBase Compound ID | 9Ysxcg7NlAM |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-10-5-2-3-7-12(10)13(14)16-9-11-6-4-8-15-11/h2-3,5,7,11H,4,6,8-9H2,1H3 |
| InChIKey | KKOQOJGDHYPFCK-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5Edi3LLQB |
|---|---|
| Name | o-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/c1-10-5-2-3-7-12(10)13(14)16-9-11-6-4-8-15-11/h2-3,5,7,11H,4,6,8-9H2,1H3 |
| InChIKey | KKOQOJGDHYPFCK-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C1(OCCC1)COC(C=1C(=CC=CC1)C)=O |