| SpectraBase Compound ID | 1k2tgh3MsP2 |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-5-6-7-8-12-19-27-23(25)16-10-9-11-17-24(26)28-20-18-22(4)15-13-14-21(2)3/h21-22H,5-20H2,1-4H3 |
| InChIKey | QBNCSBDQBFWHLB-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 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 | ARJOtbAaFlr |
|---|---|
| Name | Pimelic acid, 3,7-dimethyloctyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-5-6-7-8-12-19-27-23(25)16-10-9-11-17-24(26)28-20-18-22(4)15-13-14-21(2)3/h21-22H,5-20H2,1-4H3 |
| InChIKey | QBNCSBDQBFWHLB-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(OCCC(C)CCCC(C)C)(=O)CCCCCC(OCCCCCCC)=O |