| SpectraBase Compound ID | GPmwE6t73bu |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-18-21-30-25(28)19-16-15-17-20-26(29)31-23-24(2)22-27(3,4)5/h24H,6-23H2,1-5H3 |
| InChIKey | SAMJBNKITAAJFL-UHFFFAOYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C27H52O4 |
| Exact Mass | 440.38656 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 | HksiceaV1og |
|---|---|
| Name | Pimelic acid, dodecyl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.386560150 u |
| Formula | C27H52O4 |
| InChI | InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-18-21-30-25(28)19-16-15-17-20-26(29)31-23-24(2)22-27(3,4)5/h24H,6-23H2,1-5H3 |
| InChIKey | SAMJBNKITAAJFL-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCCCCCCCCCCCC)=O |