| SpectraBase Compound ID | H4M2VC97uia |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-4-8-18-14(16)12-6-5-7-13(9-12)15(17)19-10-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3 |
| InChIKey | VTKBDWUTPUMFAS-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yxHrQ36qD7 |
|---|---|
| Name | Isophthalic acid, isobutyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-4-8-18-14(16)12-6-5-7-13(9-12)15(17)19-10-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3 |
| InChIKey | VTKBDWUTPUMFAS-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | CC(C)COC(C1=CC(=CC=C1)C(OCCC)=O)=O |