| SpectraBase Compound ID | IcCvBlS3byf |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-4-5-6-7-12-20-16(18)14-10-8-13(9-11-14)15(17)19-2/h8-11H,3-7,12H2,1-2H3 |
| InChIKey | PAZLPKKVUUJKTD-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 | Ko5RVXmDXyj |
|---|---|
| Name | Terephthalic acid, methyl heptyl 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/c1-3-4-5-6-7-12-20-16(18)14-10-8-13(9-11-14)15(17)19-2/h8-11H,3-7,12H2,1-2H3 |
| InChIKey | PAZLPKKVUUJKTD-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=CC(=CC=C1C(OC)=O)C(OCCCCCCC)=O |