| SpectraBase Compound ID | KeWaPEQOkmp |
|---|---|
| InChI | InChI=1S/C28H54O4/c1-4-7-9-10-11-14-17-21-25-31-27(29)23-19-15-12-13-16-20-24-28(30)32-26(6-3)22-18-8-5-2/h26H,4-25H2,1-3H3 |
| InChIKey | BPNFYAZDOVFSTD-UHFFFAOYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C28H54O4 |
| Exact Mass | 454.40221 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 | GrNCZSID1VW |
|---|---|
| Name | Sebacic acid, decyl oct-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.402210215 u |
| Formula | C28H54O4 |
| InChI | InChI=1S/C28H54O4/c1-4-7-9-10-11-14-17-21-25-31-27(29)23-19-15-12-13-16-20-24-28(30)32-26(6-3)22-18-8-5-2/h26H,4-25H2,1-3H3 |
| InChIKey | BPNFYAZDOVFSTD-UHFFFAOYSA-N |
| Molecular Weight | 454.736 g/mol |
| SMILES | C(CCCCCCCC(OC(CCCCC)CC)=O)C(OCCCCCCCCCC)=O |