| SpectraBase Compound ID | 5QIaWcN9BEl |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-4-13-11(12)10-6-5-8(2)9(3)7-10/h6H,4-5,7H2,1-3H3 |
| InChIKey | NQDBCFKTZRAGNY-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hj2qFsL1E5v |
|---|---|
| Name | Ethyl 4,5-dimethylcyclohexa-1,4-dienecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-4-13-11(12)10-6-5-8(2)9(3)7-10/h6H,4-5,7H2,1-3H3 |
| InChIKey | NQDBCFKTZRAGNY-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1(C)=C(C)CC=C(C(OCC)=O)C1 |