| SpectraBase Compound ID | D6t5KrfDS0Y |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h8-9H,3-7H2,1-2H3 |
| InChIKey | KTQLZENVPSGMMQ-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESxdGkfVRJY |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, ethyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h8-9H,3-7H2,1-2H3 |
| InChIKey | KTQLZENVPSGMMQ-UHFFFAOYSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(C1CCCCC1C(OCC)=O)(=O)OC |