| SpectraBase Compound ID | 5T1sOn2B5uC |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-6-7-8-9-10-11-15-25-21(23)19-13-12-14-20(16-19)22(24)26-17-18(3)5-2/h12-14,16,18H,4-11,15,17H2,1-3H3 |
| InChIKey | KKWSBJHCUPUNMD-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 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 | 4LJbVsRwWKq |
|---|---|
| Name | Isophthalic acid, 2-methylbutyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-4-6-7-8-9-10-11-15-25-21(23)19-13-12-14-20(16-19)22(24)26-17-18(3)5-2/h12-14,16,18H,4-11,15,17H2,1-3H3 |
| InChIKey | KKWSBJHCUPUNMD-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1=C(C=CC=C1C(OCCCCCCCCC)=O)C(OCC(C)CC)=O |