| SpectraBase Compound ID | 8dbX3j29P5J |
|---|---|
| InChI | InChI=1S/C18H22O4/c1-3-21-16(19)18(17(20)22-4-2)12-10-15(11-13-18)14-8-6-5-7-9-14/h5-10H,3-4,11-13H2,1-2H3 |
| InChIKey | QSGCXXAPKGDEKV-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C18H22O4 |
| Exact Mass | 302.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPbEkzJqiAj |
|---|---|
| Name | Diethyl 4-phenylcyclohex-3-ene-1,1-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.151809184 u |
| Formula | C18H22O4 |
| InChI | InChI=1S/C18H22O4/c1-3-21-16(19)18(17(20)22-4-2)12-10-15(11-13-18)14-8-6-5-7-9-14/h5-10H,3-4,11-13H2,1-2H3 |
| InChIKey | QSGCXXAPKGDEKV-UHFFFAOYSA-N |
| SMILES | C1(=CCC(C(OCC)=O)(CC1)C(=O)OCC)C1=CC=CC=C1 |