| SpectraBase Compound ID | 2eduDTj6Kh9 |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-14-10-11-16(12-15(14)2)25-20(23)18-9-7-6-8-17(18)19(22)24-13-21(3,4)5/h6-12H,13H2,1-5H3 |
| InChIKey | IGCIOFOUGYIAPI-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 | 6kIg53ywmi9 |
|---|---|
| Name | Phthalic acid, 3,4-dimethylphenyl neopentyl 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/c1-14-10-11-16(12-15(14)2)25-20(23)18-9-7-6-8-17(18)19(22)24-13-21(3,4)5/h6-12H,13H2,1-5H3 |
| InChIKey | IGCIOFOUGYIAPI-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC(=C(C=C1)C)C)=O)C(OCC(C)(C)C)=O |