| SpectraBase Compound ID | 67jchskO5XE |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-5-6-12-20-16(18)14-9-7-13(8-10-14)15(17)19-11-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | GLBUTMCHTVUYGQ-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJAVxjueEK3 |
|---|---|
| Name | Terephthalic acid, pentyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-3-5-6-12-20-16(18)14-9-7-13(8-10-14)15(17)19-11-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | GLBUTMCHTVUYGQ-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCC |