| SpectraBase Compound ID | 2JkZtyvpMx |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-14(2)13-21-17(19)11-5-4-6-12-18(20)22-16-10-8-7-9-15(16)3/h7-10,14H,4-6,11-13H2,1-3H3 |
| InChIKey | GSRZBSTUDJPTOZ-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 | Lqcgb14h3SL |
|---|---|
| Name | Pimelic acid, isobutyl 2-methylphenyl 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/c1-14(2)13-21-17(19)11-5-4-6-12-18(20)22-16-10-8-7-9-15(16)3/h7-10,14H,4-6,11-13H2,1-3H3 |
| InChIKey | GSRZBSTUDJPTOZ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(OC1=C(C=CC=C1)C)(=O)CCCCCC(OCC(C)C)=O |