| SpectraBase Compound ID | 2hBfkhbORAt |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-7-5-10(6-8-11)12(14)16-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | QLQUJFWQAAVXQO-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPrOkcljLel |
|---|---|
| Name | Terephthalic acid, butyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-7-5-10(6-8-11)12(14)16-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | QLQUJFWQAAVXQO-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1=CC(=CC=C1C(OC)=O)C(OCCCC)=O |