| SpectraBase Compound ID | D5h4pKAC3Kf |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-14(2)13-22-18(20)11-7-8-12-19(21)24-17-10-6-5-9-16(17)23-15(3)4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3 |
| InChIKey | VMFRESFPIJSXSY-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8VR2XK2suyB |
|---|---|
| Name | Adipic acid, isobutyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-14(2)13-22-18(20)11-7-8-12-19(21)24-17-10-6-5-9-16(17)23-15(3)4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3 |
| InChIKey | VMFRESFPIJSXSY-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(CC(=O)OC1=CC=CC=C1OC(C)C)CCC(OCC(C)C)=O |