| SpectraBase Compound ID | 1outuzobTXC |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-6-20-16(18)13-8-7-9-14(10-13)17(19)21-15(11(2)3)12(4)5/h7-12,15H,6H2,1-5H3 |
| InChIKey | MPJHXBDJBWTCBO-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 | Hc5ctQISN6O |
|---|---|
| Name | Isophthalic acid, ethyl 1-isopropyl-2-methylpropyl 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/c1-6-20-16(18)13-8-7-9-14(10-13)17(19)21-15(11(2)3)12(4)5/h7-12,15H,6H2,1-5H3 |
| InChIKey | MPJHXBDJBWTCBO-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC(=C1)C(OC(C(C)C)C(C)C)=O)C(=O)OCC |