| SpectraBase Compound ID | LUPAWfNbqKz |
|---|---|
| InChI | InChI=1S/C14H16O7/c1-10(16)19-8-9-21-14(18)12-5-3-2-4-11(12)13(17)20-7-6-15/h2-5,15H,6-9H2,1H3 |
| InChIKey | GSLIUECNXAIMFK-UHFFFAOYSA-N |
| Mol Weight | 296.28 g/mol |
| Molecular Formula | C14H16O7 |
| Exact Mass | 296.089603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gt1LI0biYtb |
|---|---|
| Name | bis(2-Hydroxyethyl) phthalate, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.089602848 u |
| Formula | C14H16O7 |
| InChI | InChI=1S/C14H16O7/c1-10(16)19-8-9-21-14(18)12-5-3-2-4-11(12)13(17)20-7-6-15/h2-5,15H,6-9H2,1H3 |
| InChIKey | GSLIUECNXAIMFK-UHFFFAOYSA-N |
| Molecular Weight | 296.275 g/mol |
| SMILES | C(OC(=O)C1=C(C=CC=C1)C(=O)OCCO)COC(C)=O |