| SpectraBase Compound ID | 3tPSZ018UZk |
|---|---|
| InChI | InChI=1S/C18H24O6/c1-3-9-23-16(19)14-5-7-15(8-6-14)17(20)24-12-18(4-2)10-21-13-22-11-18/h5-8H,3-4,9-13H2,1-2H3 |
| InChIKey | GBWFVHRILHVYNB-UHFFFAOYSA-N |
| Mol Weight | 336.38 g/mol |
| Molecular Formula | C18H24O6 |
| Exact Mass | 336.157288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5704fizYWLm |
|---|---|
| Name | Terephthalic acid, (5-ethyl-1,3-dioxan-5-yl)methyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.157288487 u |
| Formula | C18H24O6 |
| InChI | InChI=1S/C18H24O6/c1-3-9-23-16(19)14-5-7-15(8-6-14)17(20)24-12-18(4-2)10-21-13-22-11-18/h5-8H,3-4,9-13H2,1-2H3 |
| InChIKey | GBWFVHRILHVYNB-UHFFFAOYSA-N |
| Molecular Weight | 336.384 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC1(CC)COCOC1)=O)C(OCCC)=O |