| SpectraBase Compound ID | C5Xw8dhfh0E |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-7-10-13-22-18(20)15-11-8-9-12-16(15)19(21)23-17(6-2)14(3)4/h8-9,11-12,14,17H,5-7,10,13H2,1-4H3 |
| InChIKey | KWSORVRFHKXADZ-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 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 | G4lzL3vmuxK |
|---|---|
| Name | Phthalic acid, 2-methylpent-3-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-7-10-13-22-18(20)15-11-8-9-12-16(15)19(21)23-17(6-2)14(3)4/h8-9,11-12,14,17H,5-7,10,13H2,1-4H3 |
| InChIKey | KWSORVRFHKXADZ-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1(=CC=CC=C1C(OC(CC)C(C)C)=O)C(=O)OCCCCC |