| SpectraBase Compound ID | LGmjNJ8dM8C |
|---|---|
| InChI | InChI=1S/C15H20O5/c1-3-4-8-19-14(16)12-6-5-7-13(11-12)15(17)20-10-9-18-2/h5-7,11H,3-4,8-10H2,1-2H3 |
| InChIKey | CWAZOZPPNDWPLS-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C15H20O5 |
| Exact Mass | 280.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeX0iCmmqSX |
|---|---|
| Name | Isophthalic acid, butyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.131073739 u |
| Formula | C15H20O5 |
| InChI | InChI=1S/C15H20O5/c1-3-4-8-19-14(16)12-6-5-7-13(11-12)15(17)20-10-9-18-2/h5-7,11H,3-4,8-10H2,1-2H3 |
| InChIKey | CWAZOZPPNDWPLS-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCCOC)=O)(OCCCC)=O |