| SpectraBase Compound ID | FbwWOY4v4P0 |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-3-4-7-10-15-13(14)12-9-6-5-8-11(12)2/h5-6,8-9H,3-4,7,10H2,1-2H3 |
| InChIKey | YMAHRBGBVUOIMQ-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 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 | 4ZG9Y8HaODI |
|---|---|
| Name | o-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/c1-3-4-7-10-15-13(14)12-9-6-5-8-11(12)2/h5-6,8-9H,3-4,7,10H2,1-2H3 |
| InChIKey | YMAHRBGBVUOIMQ-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(=O)(OCCCCC)C=1C(C)=CC=CC1 |