| SpectraBase Compound ID | Hdd2IbagGwc |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-15(2)14-23-19(21)12-6-5-7-13-20(22)24-18-11-9-8-10-17(18)16(3)4/h8-11,15-16H,5-7,12-14H2,1-4H3 |
| InChIKey | QADLUTAZVZGVED-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 | BGjqNZDN6i8 |
|---|---|
| Name | Pimelic acid, isobutyl 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/c1-15(2)14-23-19(21)12-6-5-7-13-20(22)24-18-11-9-8-10-17(18)16(3)4/h8-11,15-16H,5-7,12-14H2,1-4H3 |
| InChIKey | QADLUTAZVZGVED-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCCC(OCC(C)C)=O)CC(OC1=CC=CC=C1C(C)C)=O |