| SpectraBase Compound ID | KUe36LKaD2d |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-7-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16-17(11-5-2)12-6-3/h8-9,13-14,17H,4-7,10-12,15-16H2,1-3H3 |
| InChIKey | LGYNRYFCLGQAIH-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 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 | LkyFTOTFYv6 |
|---|---|
| Name | Phthalic acid, pentyl 2-propylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-4-7-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16-17(11-5-2)12-6-3/h8-9,13-14,17H,4-7,10-12,15-16H2,1-3H3 |
| InChIKey | LGYNRYFCLGQAIH-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC(CCC)CCC)=O)(OCCCCC)=O |