| SpectraBase Compound ID | Al0rzTdm6uy |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-11(2)10-18-14(16)13(15)17-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey | CNNWCWKSMWYUOI-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 | 5N77vFjNBff |
|---|---|
| Name | Oxalic acid, isobutyl 2-phenylethyl 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/c1-11(2)10-18-14(16)13(15)17-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey | CNNWCWKSMWYUOI-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | C(OCCC1=CC=CC=C1)(C(OCC(C)C)=O)=O |