| SpectraBase Compound ID | 45HewU6okqm |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-7-8-9-10-14-24-20(22)18-12-11-13-19(15-18)21(23)25-16-17(5-2)6-3/h11-13,15,17H,4-10,14,16H2,1-3H3 |
| InChIKey | RJVRTIPWJPZGCD-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5CIfDArAwGS |
|---|---|
| Name | Isophthalic acid, 2-ethylbutyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-4-7-8-9-10-14-24-20(22)18-12-11-13-19(15-18)21(23)25-16-17(5-2)6-3/h11-13,15,17H,4-10,14,16H2,1-3H3 |
| InChIKey | RJVRTIPWJPZGCD-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C1(=CC=CC(=C1)C(=O)OCCCCCCC)C(OCC(CC)CC)=O |