| SpectraBase Compound ID | 7PNOANTaD7w |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-15(2)9-8-14-23-19(21)12-7-13-20(22)25-18-11-6-5-10-17(18)24-16(3)4/h5-6,10-11,15-16H,7-9,12-14H2,1-4H3 |
| InChIKey | XNWFJSSCSREYOY-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 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 | LnRGOsHJKKd |
|---|---|
| Name | Glutaric acid, isohexyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-15(2)9-8-14-23-19(21)12-7-13-20(22)25-18-11-6-5-10-17(18)24-16(3)4/h5-6,10-11,15-16H,7-9,12-14H2,1-4H3 |
| InChIKey | XNWFJSSCSREYOY-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=CC=CC=C1OC(C)C)=O)=O |