| SpectraBase Compound ID | KLI90vrR8D |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-3-13-22-18(20)15-10-6-7-11-16(15)19(21)23-17-12-8-5-9-14(17)4-2/h6-7,10-11,14,17H,3-5,8-9,12-13H2,1-2H3 |
| InChIKey | QUTKWAQYCWJEIB-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0B6LOlrxUi |
|---|---|
| Name | Phthalic acid, 2-ethylcyclohexyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-3-13-22-18(20)15-10-6-7-11-16(15)19(21)23-17-12-8-5-9-14(17)4-2/h6-7,10-11,14,17H,3-5,8-9,12-13H2,1-2H3 |
| InChIKey | QUTKWAQYCWJEIB-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(OC1C(CCCC1)CC)(=O)C1=C(C=CC=C1)C(OCCC)=O |