| SpectraBase Compound ID | Hd52OYXPzeO |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-11-7-5-6-10-13(11)14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3 |
| InChIKey | KKKVYPZSZCHWFW-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHHUIbZfa1m |
|---|---|
| Name | o-Toluic acid, cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-11-7-5-6-10-13(11)14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3 |
| InChIKey | KKKVYPZSZCHWFW-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C1(CCCCC1)OC(C1=C(C=CC=C1)C)=O |