| SpectraBase Compound ID | HoljdkLZv9s |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-2-16-14(15)13-12(17-9-6-10-18-13)11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3 |
| InChIKey | JCVYDFPRMXWSHP-UHFFFAOYSA-N |
| Mol Weight | 250.29 g/mol |
| Molecular Formula | C14H18O4 |
| Exact Mass | 250.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFvwI2R8gQu |
|---|---|
| Name | (E/Z)-Ethyl 3-phenyl-1,4-dioxepan-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.120509056 u |
| Formula | C14H18O4 |
| InChI | InChI=1S/C14H18O4/c1-2-16-14(15)13-12(17-9-6-10-18-13)11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3 |
| InChIKey | JCVYDFPRMXWSHP-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | C1(C(OCCCO1)C=1C=CC=CC1)C(=O)OCC |