| SpectraBase Compound ID | G1PIwIcvWsT |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-14(6-2)12-13-15(7-3)23-19(21)17-11-9-8-10-16(17)18(20)22-4/h8-11,14-15H,5-7,12-13H2,1-4H3 |
| InChIKey | NNLHVOOQTJWDLH-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYEwP7Btl29 |
|---|---|
| Name | Phthalic acid, 6-ethyloct-3-yl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-14(6-2)12-13-15(7-3)23-19(21)17-11-9-8-10-16(17)18(20)22-4/h8-11,14-15H,5-7,12-13H2,1-4H3 |
| InChIKey | NNLHVOOQTJWDLH-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC)=O)C(OC(CC)CCC(CC)CC)=O |