| SpectraBase Compound ID | 536rsHS19kg |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-3-4-5-6-7-10-16-25-20(22)14-11-15-21(23)26-17-18-12-8-9-13-19(18)24-2/h8-9,12-13H,3-7,10-11,14-17H2,1-2H3 |
| InChIKey | RXUIZIDBJJNWJL-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 | 7wJSH0jKEwc |
|---|---|
| Name | Glutaric acid, 2-methoxybenzyl 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/c1-3-4-5-6-7-10-16-25-20(22)14-11-15-21(23)26-17-18-12-8-9-13-19(18)24-2/h8-9,12-13H,3-7,10-11,14-17H2,1-2H3 |
| InChIKey | RXUIZIDBJJNWJL-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C(OCC=1C(OC)=CC=CC1)(=O)CCCC(OCCCCCCCC)=O |