| SpectraBase Compound ID | 57440U0mB9P |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-3-5-7-8-9-10-11-16-25-21(23)19-14-12-13-18(17-19)20(22)24-15-6-4-2/h12-14,17H,3-11,15-16H2,1-2H3 |
| InChIKey | YXHYJBOJWFKVIG-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 | Fme419omdOp |
|---|---|
| Name | Isophthalic acid, butyl nonyl 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/c1-3-5-7-8-9-10-11-16-25-21(23)19-14-12-13-18(17-19)20(22)24-15-6-4-2/h12-14,17H,3-11,15-16H2,1-2H3 |
| InChIKey | YXHYJBOJWFKVIG-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | CCCCCCCCCOC(C=1C=C(C(=O)OCCCC)C=CC1)=O |