| SpectraBase Compound ID | LdNHF5u8EK0 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-8-17(9-6-2)23-19(21)16-11-7-10-15(12-16)18(20)22-13-14(3)4/h7,10-12,14,17H,5-6,8-9,13H2,1-4H3 |
| InChIKey | FXWCJLMKHUHZGM-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GZM27CMChqU |
|---|---|
| Name | Isophthalic acid, isobutyl 1-propylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-8-17(9-6-2)23-19(21)16-11-7-10-15(12-16)18(20)22-13-14(3)4/h7,10-12,14,17H,5-6,8-9,13H2,1-4H3 |
| InChIKey | FXWCJLMKHUHZGM-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCC(C)C)C(OC(CCC)CCC)=O |