| SpectraBase Compound ID | 5KHTGO7Xf2E |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-3-4-5-6-7-8-9-10-14-25-20(22)18-12-11-13-19(17-18)21(23)26-16-15-24-2/h11-13,17H,3-10,14-16H2,1-2H3 |
| InChIKey | DPRBXGFRIFFLSG-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 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 | BmljcZDoQn6 |
|---|---|
| Name | Isophthalic acid, decyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.224974125 u |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-3-4-5-6-7-8-9-10-14-25-20(22)18-12-11-13-19(17-18)21(23)26-16-15-24-2/h11-13,17H,3-10,14-16H2,1-2H3 |
| InChIKey | DPRBXGFRIFFLSG-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCOC)=O)(OCCCCCCCCCC)=O |