| SpectraBase Compound ID | 9tLGNe1zZbk |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-11(2)10-20-16(18)14-7-6-8-15(9-14)17(19)21-13(5)12(3)4/h6-9,11-13H,10H2,1-5H3 |
| InChIKey | HONVRZVWRWANHH-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 | BJpWW8htzZ8 |
|---|---|
| Name | Isophthalic acid, isobutyl 3-methylbut-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/c1-11(2)10-20-16(18)14-7-6-8-15(9-14)17(19)21-13(5)12(3)4/h6-9,11-13H,10H2,1-5H3 |
| InChIKey | HONVRZVWRWANHH-UHFFFAOYSA-N |
| SMILES | C(OC(C1=CC(C(OCC(C)C)=O)=CC=C1)=O)(C(C)C)C |