| SpectraBase Compound ID | I5gxM4jdvWd |
|---|---|
| InChI | InChI=1S/C31H30ClN3O2/c32-25-18-16-22(17-19-25)20-27-31(37)35(21-23-10-4-1-5-11-23)29(28(34-27)24-12-6-2-7-13-24)30(36)33-26-14-8-3-9-15-26/h1-2,4-7,10-13,16-19,26H,3,8-9,14-15,20-21H2,(H,33,36) |
| InChIKey | YPMMTFJEWRXYAP-UHFFFAOYSA-N |
| Mol Weight | 512.05 g/mol |
| Molecular Formula | C31H30ClN3O2 |
| Exact Mass | 511.202655 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 65pKWbTsv7T |
|---|---|
| Name | 5-(4-Chlorobenzyl)-1-benzyl-N-cyclohexyl-6-oxo-3-phenyl-1,6-dihydropyrazine-2-carboxamide |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H30ClN3O2 |
| InChI | InChI=1S/C31H30ClN3O2/c32-25-18-16-22(17-19-25)20-27-31(37)35(21-23-10-4-1-5-11-23)29(28(34-27)24-12-6-2-7-13-24)30(36)33-26-14-8-3-9-15-26/h1-2,4-7,10-13,16-19,26H,3,8-9,14-15,20-21H2,(H,33,36) |
| InChIKey | YPMMTFJEWRXYAP-UHFFFAOYSA-N |
| Instrument Name | Finnigan Trace |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/acs.joc.1c00735 |
| Molecular Weight | 512.053 g/mol |
| SMILES | N(C(C1=C(N=C(Cc2ccc(Cl)cc2)C(N1Cc1ccccc1)=O)c1ccccc1)=O)C1CCCCC1 |
| SPLASH | splash10-006x-9003220000-b4b65f9bce2bb1e3df67 |
| Source of Spectrum | JOC-86-10759-6q |
| Wiley ID | 1867910 |