| SpectraBase Compound ID | GBhoL9pAASs |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-14(2)13-24-20(22)16-8-7-9-17(12-16)21(23)25-19-11-6-5-10-18(19)15(3)4/h5-12,14-15H,13H2,1-4H3 |
| InChIKey | YOOBMPVRGKBBTK-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2WUVMGkAqO3 |
|---|---|
| Name | Isophthalic acid, isobutyl 2-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-14(2)13-24-20(22)16-8-7-9-17(12-16)21(23)25-19-11-6-5-10-18(19)15(3)4/h5-12,14-15H,13H2,1-4H3 |
| InChIKey | YOOBMPVRGKBBTK-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C(C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OCC(C)C)=O)=O)(C)C |