| SpectraBase Compound ID | IL5Xl0eh1FY |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-4-6-7-8-12-17(13-11-16-24-3)26-21(23)19-15-10-9-14-18(19)20(22)25-5-2/h9-10,14-15,17H,4-8,11-13,16H2,1-3H3 |
| InChIKey | BAINPUZTDXJIIK-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PBv6QnZcnj |
|---|---|
| Name | Phthalic acid, ethyl 1-methoxydec-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.224974125 u |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-4-6-7-8-12-17(13-11-16-24-3)26-21(23)19-15-10-9-14-18(19)20(22)25-5-2/h9-10,14-15,17H,4-8,11-13,16H2,1-3H3 |
| InChIKey | BAINPUZTDXJIIK-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC(CCCOC)CCCCCC)=O)C(OCC)=O |