| SpectraBase Compound ID | 5b1Kv0lfXeO |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-7-9-14(5-2)13-22-18(20)16-11-8-10-15(12-16)17(19)21-6-3/h8,10-12,14H,4-7,9,13H2,1-3H3 |
| InChIKey | OSMVUWMFSNGSGK-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51eJcI0ZGWT |
|---|---|
| Name | Isophthalic acid, ethyl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-4-7-9-14(5-2)13-22-18(20)16-11-8-10-15(12-16)17(19)21-6-3/h8,10-12,14H,4-7,9,13H2,1-3H3 |
| InChIKey | OSMVUWMFSNGSGK-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OCC(CC)CCCC)=O)C(OCC)=O |