| SpectraBase Compound ID | 6hkaz7NiVMt |
|---|---|
| InChI | InChI=1S/C27H44N2O/c28-24-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-26-22-23-27(25-30)29-26/h6,8,22-23,25,29H,1-5,7,9-21H2 |
| InChIKey | XFWLNFUSRURWSG-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C27H44N2O |
| Exact Mass | 412.345364 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8XQMawhGhrG |
|---|---|
| Name | Mycalenitrile-9 |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44N2O |
| InChI | InChI=1S/C27H44N2O/c28-24-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-26-22-23-27(25-30)29-26/h6,8,22-23,25,29H,1-5,7,9-21H2 |
| InChIKey | XFWLNFUSRURWSG-UHFFFAOYSA-N |
| Instrument Name | Hewlett-Packard HP6980 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900444m |
| Molecular Weight | 412.662 g/mol |
| Reported Formula | C27H44N2O |
| SMILES | [nH]1c(ccc1CCCCCCCCCCCCCC=CCCCCCCC#N)C=O |
| SPLASH | splash10-0c00-2902300000-a8b8f37539326eb739bc |
| Source of Spectrum | G4-72-1934-9 |
| Wiley ID | 1872090 |