| SpectraBase Compound ID | KkO7KGFgJwu |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-10-6-2-5-9-12(10)13(14)15-11-7-3-4-8-11/h2,5-6,9,11H,3-4,7-8H2,1H3 |
| InChIKey | IQJXTQXALQFMNN-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JBHPZgsd6Gr |
|---|---|
| Name | o-Toluic acid, cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-10-6-2-5-9-12(10)13(14)15-11-7-3-4-8-11/h2,5-6,9,11H,3-4,7-8H2,1H3 |
| InChIKey | IQJXTQXALQFMNN-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1(CCCC1)OC(C1=C(C=CC=C1)C)=O |