| SpectraBase Compound ID | 2bMjsQAbCRa |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-3-4-5-10-20-15(17)13-6-8-14(9-7-13)16(18)21-12-11-19-2/h6-9H,3-5,10-12H2,1-2H3 |
| InChIKey | UPOISZDCHPOXSB-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KKzHxI1IHu1 |
|---|---|
| Name | Terephthalic acid, 2-methoxyethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-3-4-5-10-20-15(17)13-6-8-14(9-7-13)16(18)21-12-11-19-2/h6-9H,3-5,10-12H2,1-2H3 |
| InChIKey | UPOISZDCHPOXSB-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | CCCCCOC(C1=CC=C(C(OCCOC)=O)C=C1)=O |