| SpectraBase Compound ID | 6UQJN6DaKLF |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-3-4-5-9-15-13(14)12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | KUPGUGAJEZQRKM-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZAVs6RCybG |
|---|---|
| Name | m-Toluic acid, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-3-4-5-9-15-13(14)12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | KUPGUGAJEZQRKM-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(=O)(OCCCCC)C1=CC(C)=CC=C1 |