| SpectraBase Compound ID | 7RNTjEDf2g5 |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-5-15-24-20(22)18-11-9-10-12-19(18)21(23)25-17(8-4)14-13-16(6-2)7-3/h9-12,16-17H,5-8,13-15H2,1-4H3 |
| InChIKey | AOBJCMVXMHBFJB-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 | KBmfirY1g62 |
|---|---|
| Name | Phthalic acid, propyl 6-ethyl-3-octyl 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/c1-5-15-24-20(22)18-11-9-10-12-19(18)21(23)25-17(8-4)14-13-16(6-2)7-3/h9-12,16-17H,5-8,13-15H2,1-4H3 |
| InChIKey | AOBJCMVXMHBFJB-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C1(=CC=CC=C1C(OC(CC)CCC(CC)CC)=O)C(=O)OCCC |