| SpectraBase Compound ID | GaYbnrYTCWb |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-4-5-6-7-10-16-24-20(22)14-11-15-21(23)26-19-13-9-8-12-18(19)25-17(2)3/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3 |
| InChIKey | XEWPXNMZODLXBB-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 | H4QF4weFncc |
|---|---|
| Name | Glutaric acid, heptyl 2-isopropoxyphenyl 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/c1-4-5-6-7-10-16-24-20(22)14-11-15-21(23)26-19-13-9-8-12-18(19)25-17(2)3/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3 |
| InChIKey | XEWPXNMZODLXBB-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | CCCCCCCOC(CCCC(OC1=CC=CC=C1OC(C)C)=O)=O |