| SpectraBase Compound ID | 6HzHk9uUbIb |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-6-7-9-13(3)21-17(19)15-11-8-10-14(12-15)16(18)20-5-2/h8,10-13H,4-7,9H2,1-3H3 |
| InChIKey | KAIAZJDKRYPKMK-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 | 47EUpvUVNKY |
|---|---|
| Name | Isophthalic acid, ethyl hept-2-yl 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/c1-4-6-7-9-13(3)21-17(19)15-11-8-10-14(12-15)16(18)20-5-2/h8,10-13H,4-7,9H2,1-3H3 |
| InChIKey | KAIAZJDKRYPKMK-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1)C(OC(C)CCCCC)=O)C(=O)OCC |