| SpectraBase Compound ID | 5cR2fdZumqA |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-4-5-6-7-8-9-12-15-24-20(22)18-13-10-11-14-19(18)21(23)25-16-17(2)3/h10-11,13-14H,2,4-9,12,15-16H2,1,3H3 |
| InChIKey | GJTVBEKEBUCRMB-UHFFFAOYSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DLYrEx6S8Xq |
|---|---|
| Name | Phthalic acid, 2-methylallyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-4-5-6-7-8-9-12-15-24-20(22)18-13-10-11-14-19(18)21(23)25-16-17(2)3/h10-11,13-14H,2,4-9,12,15-16H2,1,3H3 |
| InChIKey | GJTVBEKEBUCRMB-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C(COC(C1=C(C=CC=C1)C(=O)OCC(=C)C)=O)CCCCCCC |