| SpectraBase Compound ID | 8fvauN2oRdn |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-6-7-8-11-14-23-18(21)16-12-9-10-13-17(16)19(22)24-15-20(2,3)4/h9-10,12-13H,5-8,11,14-15H2,1-4H3 |
| InChIKey | OFVWGUMTAWORIC-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 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 | 22YceNHavCr |
|---|---|
| Name | Phthalic acid, heptyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-5-6-7-8-11-14-23-18(21)16-12-9-10-13-17(16)19(22)24-15-20(2,3)4/h9-10,12-13H,5-8,11,14-15H2,1-4H3 |
| InChIKey | OFVWGUMTAWORIC-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCCCCCCOC(C1=CC=CC=C1C(OCC(C)(C)C)=O)=O |