| SpectraBase Compound ID | HGTdfzBc2pY |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-4-6-8-10-12-13-14-15-16-18-22-26-32-28(30)24-20-21-25-29(31)33-27(3)23-19-17-11-9-7-5-2/h27H,4-26H2,1-3H3 |
| InChIKey | FBOULRXDKDMTSS-UHFFFAOYSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C29H56O4 |
| Exact Mass | 468.41786 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 | 5bXjSTxaNTi |
|---|---|
| Name | Adipic acid, 2-decyl tridecyl 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/c1-4-6-8-10-12-13-14-15-16-18-22-26-32-28(30)24-20-21-25-29(31)33-27(3)23-19-17-11-9-7-5-2/h27H,4-26H2,1-3H3 |
| InChIKey | FBOULRXDKDMTSS-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | C(C(OC(CCCCCCCC)C)=O)CCCC(OCCCCCCCCCCCCC)=O |