| SpectraBase Compound ID | 22LX4O7QhpN |
|---|---|
| InChI | InChI=1S/C13H14O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2 |
| InChIKey | LEVSNIXDZWEGEC-UHFFFAOYSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9349z372U3h |
|---|---|
| Name | (2-Oxidanylidenecyclohexyl) benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.094294308 u |
| Formula | C13H14O3 |
| InChI | InChI=1S/C13H14O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2 |
| InChIKey | LEVSNIXDZWEGEC-UHFFFAOYSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | C(OC1C(=O)CCCC1)(=O)C1=CC=CC=C1 |