| SpectraBase Compound ID | FTpsMediMM8 |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-3-9-15(2)24-20(22)18-13-8-7-12-17(18)19(21)23-14-16-10-5-4-6-11-16/h7-8,12-13,15-16H,3-6,9-11,14H2,1-2H3 |
| InChIKey | RIXPMHSGLOMSNQ-UHFFFAOYSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FS7NSk3pZR7 |
|---|---|
| Name | Phthalic acid, cyclohexylmethyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-3-9-15(2)24-20(22)18-13-8-7-12-17(18)19(21)23-14-16-10-5-4-6-11-16/h7-8,12-13,15-16H,3-6,9-11,14H2,1-2H3 |
| InChIKey | RIXPMHSGLOMSNQ-UHFFFAOYSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OCC1CCCCC1)=O)C(OC(CCC)C)=O |