| SpectraBase Compound ID | ICDUO9xPNlC |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-3-5-7-9-11-13-14-16-18-23-27-33-29(31)25-21-19-20-24-28(30)32-26-22-17-15-12-10-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | JBCQRAQVCQRQPX-UHFFFAOYSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C29H56O4 |
| Exact Mass | 468.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQwUrVcdQek |
|---|---|
| Name | Pimelic acid, decyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.417860279 u |
| Formula | C29H56O4 |
| InChI | InChI=1S/C29H56O4/c1-3-5-7-9-11-13-14-16-18-23-27-33-29(31)25-21-19-20-24-28(30)32-26-22-17-15-12-10-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | JBCQRAQVCQRQPX-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | C(OCCCCCCCCCCCC)(=O)CCCCCC(OCCCCCCCCCC)=O |