| SpectraBase Compound ID | KBRmSkbKVuG |
|---|---|
| InChI | InChI=1S/C45H86N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44(48)46-43-47-45(49)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3,(H,46,48)(H,47,49)/b19-17-,20-18- |
| InChIKey | HZWMFNBDVHTIQP-CLFAGFIQSA-N |
| Mol Weight | 687.2 g/mol |
| Molecular Formula | C45H86N2O2 |
| Exact Mass | 686.66893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HaVpJ3hnLTf |
|---|---|
| Name | bis(cis-13-Docosenamido)methane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 686.668930015 u |
| Formula | C45H86N2O2 |
| InChI | InChI=1S/C45H86N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44(48)46-43-47-45(49)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3,(H,46,48)(H,47,49)/b19-17-,20-18- |
| InChIKey | HZWMFNBDVHTIQP-CLFAGFIQSA-N |
| Molecular Weight | 687.195 g/mol |
| SMILES | CCCCCCCC\C=C/CCCCCCCCCCCC(NCNC(CCCCCCCCCCC\C=C/CCCCCCCC)=O)=O |