| SpectraBase Compound ID | BeY1OJTZ3Wv |
|---|---|
| InChI | InChI=1S/C27H42N2O/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/h4,6,10,12,22-23,25,29H,1-3,5,7-9,11,13-21H2 |
| InChIKey | KRMYZGQJGRVDGO-UHFFFAOYSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C27H42N2O |
| Exact Mass | 410.329714 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GBVESHOqcgo |
|---|---|
| Name | Mycalenitrile-7 |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42N2O |
| InChI | InChI=1S/C27H42N2O/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/h4,6,10,12,22-23,25,29H,1-3,5,7-9,11,13-21H2 |
| InChIKey | KRMYZGQJGRVDGO-UHFFFAOYSA-N |
| Instrument Name | Hewlett-Packard HP6980 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900444m |
| Molecular Weight | 410.646 g/mol |
| Reported Formula | C27H42N2O |
| SMILES | [nH]1c(ccc1CCCCCCCCCCCCC=CCC=CCCCCC#N)C=O |
| SPLASH | splash10-05al-8902200000-4ae9a810ee0a78cc6c20 |
| Source of Spectrum | G4-72-1934-7 |
| Wiley ID | 1872088 |