| SpectraBase Compound ID | GGGzG1DusXa |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-3-5-6-7-8-9-10-13-17-25-21(23)19-15-12-11-14-18(19)20(22)24-16-4-2/h11-12,14-15H,3-10,13,16-17H2,1-2H3 |
| InChIKey | XSNADJSQFAWRJM-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsTtPdk747C |
|---|---|
| Name | Phthalic acid, decyl propyl 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/c1-3-5-6-7-8-9-10-13-17-25-21(23)19-15-12-11-14-18(19)20(22)24-16-4-2/h11-12,14-15H,3-10,13,16-17H2,1-2H3 |
| InChIKey | XSNADJSQFAWRJM-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C1=C(C(C(OCCCCCCCCCC)=O)=CC=C1)C(=O)OCCC |