| SpectraBase Compound ID | JOZw0VFHRlP |
|---|---|
| InChI | InChI=1S/C28H46N2O/c29-25-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-27-23-24-28(26-31)30-27/h8,10,23-24,26,30H,1-7,9,11-22H2 |
| InChIKey | SLCNLGCXOLIGFW-UHFFFAOYSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C28H46N2O |
| Exact Mass | 426.361014 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5N7THh0Jujj |
|---|---|
| Name | Mycalenitrile-12 |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46N2O |
| InChI | InChI=1S/C28H46N2O/c29-25-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-27-23-24-28(26-31)30-27/h8,10,23-24,26,30H,1-7,9,11-22H2 |
| InChIKey | SLCNLGCXOLIGFW-UHFFFAOYSA-N |
| Instrument Name | Hewlett-Packard HP6980 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900444m |
| Molecular Weight | 426.689 g/mol |
| Reported Formula | C28H46N2O |
| SMILES | [nH]1c(ccc1CCCCCCC=CCCCCCCCCCCCCCCC#N)C=O |
| SPLASH | splash10-05di-2913400000-bfd16d2858816e7096cb |
| Source of Spectrum | G4-72-1934-12 |
| Wiley ID | 1872083 |