| SpectraBase Compound ID | RaOPuD03Qr |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-4-5-6-7-8-11-16-24-20(22)14-15-21(23)26-19-13-10-9-12-18(19)25-17(2)3/h9-10,12-13,17H,4-8,11,14-16H2,1-3H3 |
| InChIKey | MEHXWPCPZHFHHI-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 | 2vZ6odRTxHM |
|---|---|
| Name | Succinic acid, 2-isopropoxyphenyl octyl 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/c1-4-5-6-7-8-11-16-24-20(22)14-15-21(23)26-19-13-10-9-12-18(19)25-17(2)3/h9-10,12-13,17H,4-8,11,14-16H2,1-3H3 |
| InChIKey | MEHXWPCPZHFHHI-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | CCCCCCCCOC(CCC(OC1=C(C=CC=C1)OC(C)C)=O)=O |