| SpectraBase Compound ID | 4wmuCHfMr8K |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-5-15-23-19(21)13-7-6-8-14-20(22)24-18-12-10-9-11-17(18)16(2)3/h9-12,16H,4-8,13-15H2,1-3H3 |
| InChIKey | NQEOXYMHXSCJNL-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 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 | ICulFLlqzfJ |
|---|---|
| Name | Pimelic acid, butyl 2-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-5-15-23-19(21)13-7-6-8-14-20(22)24-18-12-10-9-11-17(18)16(2)3/h9-12,16H,4-8,13-15H2,1-3H3 |
| InChIKey | NQEOXYMHXSCJNL-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCCC(OCCCC)=O)CC(OC1=CC=CC=C1C(C)C)=O |