| SpectraBase Compound ID | 6QdVkkAAC67 |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-3-5-6-7-11-22-17(19)15-9-8-10-16(14-15)18(20)23-13-12-21-4-2/h8-10,14H,3-7,11-13H2,1-2H3 |
| InChIKey | HOIIYILDDOHAET-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5faamY4sa6x |
|---|---|
| Name | Isophthalic acid, 2-ethoxyethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-3-5-6-7-11-22-17(19)15-9-8-10-16(14-15)18(20)23-13-12-21-4-2/h8-10,14H,3-7,11-13H2,1-2H3 |
| InChIKey | HOIIYILDDOHAET-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C1=C(C=CC=C1C(OCCCCCC)=O)C(OCCOCC)=O |