| SpectraBase Compound ID | 4xDoXEdQm0B |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-12(2)9-10-20-16(18)14-7-5-6-8-15(14)17(19)21-11-13(3)4/h5-8,12-13H,9-11H2,1-4H3 |
| InChIKey | WFJSBFAFJVABJD-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2KGF7sfB6sE |
|---|---|
| Name | Phthalic acid, isobutyl 3-methylbutyl 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/c1-12(2)9-10-20-16(18)14-7-5-6-8-15(14)17(19)21-11-13(3)4/h5-8,12-13H,9-11H2,1-4H3 |
| InChIKey | WFJSBFAFJVABJD-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1)C(OCC(C)C)=O)C(OCCC(C)C)=O |