| SpectraBase Compound ID | 1BjbwEykqf4 |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-12(2)15(5)21-17(19)10-7-11-18(20)22-16-9-6-8-13(3)14(16)4/h6,8-9,12,15H,7,10-11H2,1-5H3 |
| InChIKey | ABWRSBLINMBELB-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 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 | 5e6NGOl5p9T |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-12(2)15(5)21-17(19)10-7-11-18(20)22-16-9-6-8-13(3)14(16)4/h6,8-9,12,15H,7,10-11H2,1-5H3 |
| InChIKey | ABWRSBLINMBELB-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC1=C(C(C)=CC=C1)C)=O |