| SpectraBase Compound ID | 7etTAcFX2zt |
|---|---|
| InChI | InChI=1S/C13H13NO5/c1-2-18-12(15)8-17-9-13(16)19-11-5-3-10(7-14)4-6-11/h3-6H,2,8-9H2,1H3 |
| InChIKey | SJDVORNDWQRYOC-UHFFFAOYSA-N |
| Mol Weight | 263.25 g/mol |
| Molecular Formula | C13H13NO5 |
| Exact Mass | 263.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6llWo5fYHqQ |
|---|---|
| Name | Diglycolic acid, 4-cyanophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.079372518 u |
| Formula | C13H13NO5 |
| InChI | InChI=1S/C13H13NO5/c1-2-18-12(15)8-17-9-13(16)19-11-5-3-10(7-14)4-6-11/h3-6H,2,8-9H2,1H3 |
| InChIKey | SJDVORNDWQRYOC-UHFFFAOYSA-N |
| Molecular Weight | 263.249 g/mol |
| SMILES | C(COCC(=O)OCC)(=O)OC1=CC=C(C#N)C=C1 |