| SpectraBase Compound ID | I6b9pcMSiA6 |
|---|---|
| InChI | InChI=1S/C29H48N2O/c30-26-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-28-24-25-29(27-32)31-28/h8,10,24-25,27,31H,1-7,9,11-23H2 |
| InChIKey | RSFDDMBUDZPFDA-UHFFFAOYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C29H48N2O |
| Exact Mass | 440.376664 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 90WzbgEO42E |
|---|---|
| Name | Mycalenitrile-10 |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48N2O |
| InChI | InChI=1S/C29H48N2O/c30-26-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-28-24-25-29(27-32)31-28/h8,10,24-25,27,31H,1-7,9,11-23H2 |
| InChIKey | RSFDDMBUDZPFDA-UHFFFAOYSA-N |
| Instrument Name | Hewlett-Packard HP6980 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900444m |
| Molecular Weight | 440.716 g/mol |
| Reported Formula | C29H48N2O |
| SMILES | [nH]1c(ccc1CCCCCCCCCCCCCCCC=CCCCCCCC#N)C=O |
| SPLASH | splash10-0a4l-5793400000-376c2a3238093f236726 |
| Source of Spectrum | G4-72-1934-10 |
| Wiley ID | 1872081 |