| SpectraBase Compound ID | FCJYyqoo7vg |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-4-7-9-10-11-12-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20(6-3)16-8-5-2/h13-14,17-18,20H,4-12,15-16,19H2,1-3H3 |
| InChIKey | GAAAEDOVXHQYTH-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fv4N5jRBt2S |
|---|---|
| Name | Phthalic acid, hept-3-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.277009700 u |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-4-7-9-10-11-12-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20(6-3)16-8-5-2/h13-14,17-18,20H,4-12,15-16,19H2,1-3H3 |
| InChIKey | GAAAEDOVXHQYTH-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C1=CC=CC(=C1C(OC(CC)CCCC)=O)C(OCCCCCCCCC)=O |