| SpectraBase Compound ID | 1OsDiKe1ekv |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-11-9-14(16(18)20-2)15(17(19)21-3)10-13(11)12-7-5-4-6-8-12/h4-8,14-15H,9-10H2,1-3H3 |
| InChIKey | SGXSGUZVZIGPKH-UHFFFAOYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C17H20O4 |
| Exact Mass | 288.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AgqCnkOnKIx |
|---|---|
| Name | Dimethyl 4-methyl-5-phenylcyclohex-4-ene-1,2-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.136159120 u |
| Formula | C17H20O4 |
| InChI | InChI=1S/C17H20O4/c1-11-9-14(16(18)20-2)15(17(19)21-3)10-13(11)12-7-5-4-6-8-12/h4-8,14-15H,9-10H2,1-3H3 |
| InChIKey | SGXSGUZVZIGPKH-UHFFFAOYSA-N |
| SMILES | C1(C(CC(=C(C1)C=1C=CC=CC1)C)C(=O)OC)C(=O)OC |