| SpectraBase Compound ID | CTEUhe7IFGS |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-3-4-7-13-23-19(21)16-10-8-11-17(14-16)20(22)24-18-12-6-5-9-15(18)2/h5-6,8-12,14H,3-4,7,13H2,1-2H3 |
| InChIKey | NXNLJZXUQCLKNY-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 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 | 7VdN4xxNZHs |
|---|---|
| Name | Isophthalic acid, 2-methylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-3-4-7-13-23-19(21)16-10-8-11-17(14-16)20(22)24-18-12-6-5-9-15(18)2/h5-6,8-12,14H,3-4,7,13H2,1-2H3 |
| InChIKey | NXNLJZXUQCLKNY-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCCCC)=O)(OC1=CC=CC=C1C)=O |