| SpectraBase Compound ID | 5hP6aR1ntI6 |
|---|---|
| InChI | InChI=1S/C14H14O4/c1-17-13(15)9-7-11-3-5-12(6-4-11)8-10-14(16)18-2/h3-10H,1-2H3/b9-7+,10-8+ |
| InChIKey | IFNSXAJHSAPYLB-FIFLTTCUSA-N |
| Mol Weight | 246.26 g/mol |
| Molecular Formula | C14H14O4 |
| Exact Mass | 246.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CchvVaa2BS5 |
|---|---|
| Name | 2-Propenoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.089208927 u |
| Formula | C14H14O4 |
| InChI | InChI=1S/C14H14O4/c1-17-13(15)9-7-11-3-5-12(6-4-11)8-10-14(16)18-2/h3-10H,1-2H3/b9-7+,10-8+ |
| InChIKey | IFNSXAJHSAPYLB-FIFLTTCUSA-N |
| Molecular Weight | 246.262 g/mol |
| SMILES | COC(=O)\C=C\C1=CC=C(\C=C\C(=O)OC)C=C1 |