| SpectraBase Compound ID | 58bGHtalOnB |
|---|---|
| InChI | InChI=1S/C21H24O5/c1-3-4-7-13-25-20(22)18-11-5-6-12-19(18)21(23)26-15-16-9-8-10-17(14-16)24-2/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3 |
| InChIKey | ZHESXYHWGQLHQI-UHFFFAOYSA-N |
| Mol Weight | 356.42 g/mol |
| Molecular Formula | C21H24O5 |
| Exact Mass | 356.162374 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 | DkMlNmjyVYF |
|---|---|
| Name | Phthalic acid, 3-methoxybenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.162373868 u |
| Formula | C21H24O5 |
| InChI | InChI=1S/C21H24O5/c1-3-4-7-13-25-20(22)18-11-5-6-12-19(18)21(23)26-15-16-9-8-10-17(14-16)24-2/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3 |
| InChIKey | ZHESXYHWGQLHQI-UHFFFAOYSA-N |
| Molecular Weight | 356.418 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCC)=O |