| SpectraBase Compound ID | 7HZR8TRic69 |
|---|---|
| InChI | InChI=1S/C29H46N2O/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/h6,8,12,14,24-25,27,31H,1-5,7,9-11,13,15-23H2 |
| InChIKey | WJIQLDNTQYSZMR-UHFFFAOYSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C29H46N2O |
| Exact Mass | 438.361014 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Qb0QjoR4S |
|---|---|
| Name | Mycalenitrile-5 |
| Appearance | Viscous liquid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46N2O |
| InChI | InChI=1S/C29H46N2O/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/h6,8,12,14,24-25,27,31H,1-5,7,9-11,13,15-23H2 |
| InChIKey | WJIQLDNTQYSZMR-UHFFFAOYSA-N |
| Instrument Name | Hewlett-Packard HP6980 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900444m |
| Molecular Weight | 438.700 g/mol |
| Reported Formula | C29H46N2O |
| SMILES | [nH]1c(ccc1C=O)CCCCCCCCCCCCCCC=CCC=CCCCCC#N |
| SPLASH | splash10-05g0-4914500000-7a931723403751917435 |
| Source of Spectrum | G4-72-1933-5 |
| Wiley ID | 1872086 |