| SpectraBase Compound ID | 3VglUw5XP5v |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14) |
| InChIKey | QLUQHFODHZKSDT-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10GaRiY5gTo |
|---|---|
| Name | TEREPHTHALIC ACID, MONOBUTYL ESTER |
| Source of Sample | Eastman Organic Chemicals, Rochester, New York |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14) |
| InChIKey | QLUQHFODHZKSDT-UHFFFAOYSA-N |
| Melting Point | 135-136C |
| Molecular Weight | 222.24 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |