| SpectraBase Compound ID | JVuFA4l0p9O |
|---|---|
| InChI | InChI=1S/C18H18O5/c1-13-5-3-7-15(9-13)22-17(19)11-21-12-18(20)23-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3 |
| InChIKey | QEBAPGHKHYJXPX-UHFFFAOYSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C18H18O5 |
| Exact Mass | 314.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DMmS4oxKV3O |
|---|---|
| Name | Diglycolic acid, di(3-methylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.115423675 u |
| Formula | C18H18O5 |
| InChI | InChI=1S/C18H18O5/c1-13-5-3-7-15(9-13)22-17(19)11-21-12-18(20)23-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3 |
| InChIKey | QEBAPGHKHYJXPX-UHFFFAOYSA-N |
| Molecular Weight | 314.337 g/mol |
| SMILES | C(COCC(=O)OC=1C=CC=C(C)C1)(=O)OC1=CC(=CC=C1)C |