| SpectraBase Compound ID | AaePX8FW0eF |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-2-17-13(15)10-6-7-11-14(16)18-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3 |
| InChIKey | TWVZEHNFZJMLLX-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 | K09zt0Wz4tX |
|---|---|
| Name | Adipic acid, ethyl phenyl ester |
| 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/c1-2-17-13(15)10-6-7-11-14(16)18-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3 |
| InChIKey | TWVZEHNFZJMLLX-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | C1(=CC=CC=C1)OC(=O)CCCCC(OCC)=O |