| SpectraBase Compound ID | 4DW4yN54Sk3 |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-5-15(6-2)21-17(19)14-9-7-8-13(10-14)16(18)20-11-12(3)4/h7-10,12,15H,5-6,11H2,1-4H3 |
| InChIKey | JFVTWEHLTJXQHM-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5OecCWzcYEH |
|---|---|
| Name | Isophthalic acid, isobutyl 3-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-5-15(6-2)21-17(19)14-9-7-8-13(10-14)16(18)20-11-12(3)4/h7-10,12,15H,5-6,11H2,1-4H3 |
| InChIKey | JFVTWEHLTJXQHM-UHFFFAOYSA-N |
| SMILES | CC(C)COC(C1=CC(=CC=C1)C(OC(CC)CC)=O)=O |