| SpectraBase Compound ID | 9a9MjxSqCvn |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-9-19-15(17)13-7-6-8-14(10-13)16(18)20-11-12(3)5-2/h6-8,10,12H,4-5,9,11H2,1-3H3 |
| InChIKey | QJWYYIIJFROSKG-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 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 | 6fXEQkZ8Qfa |
|---|---|
| Name | Isophthalic acid, 2-methylbutyl 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/c1-4-9-19-15(17)13-7-6-8-14(10-13)16(18)20-11-12(3)5-2/h6-8,10,12H,4-5,9,11H2,1-3H3 |
| InChIKey | QJWYYIIJFROSKG-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | CCCOC(C=1C=C(C(OCC(CC)C)=O)C=CC1)=O |