| SpectraBase Compound ID | 36WFWPouIwG |
|---|---|
| InChI | InChI=1S/C18H22O4/c1-2-21-17(19)15-10-6-7-11-16(15)18(20)22-13-12-14-8-4-3-5-9-14/h3-9,15-16H,2,10-13H2,1H3 |
| InChIKey | MSJQIKZXODCXGU-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 | HfxtsprPlQV |
|---|---|
| Name | cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl phenethyl ester |
| 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/c1-2-21-17(19)15-10-6-7-11-16(15)18(20)22-13-12-14-8-4-3-5-9-14/h3-9,15-16H,2,10-13H2,1H3 |
| InChIKey | MSJQIKZXODCXGU-UHFFFAOYSA-N |
| SMILES | C=1CC(C(CC1)C(OCCC=1C=CC=CC1)=O)C(=O)OCC |