| SpectraBase Compound ID | BGd4YmcgrYX |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-4-17-12(14)10-7-6-9(16-3)8-11(10)13(15)18-5-2/h6-8H,4-5H2,1-3H3 |
| InChIKey | NNUKHDIOBTUYHV-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fdH7X1nLwn |
|---|---|
| Name | Diethyl 4-methoxyphthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-4-17-12(14)10-7-6-9(16-3)8-11(10)13(15)18-5-2/h6-8H,4-5H2,1-3H3 |
| InChIKey | NNUKHDIOBTUYHV-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C=1(C=C(C(C(=O)OCC)=CC1)C(OCC)=O)OC |