| SpectraBase Spectrum ID |
70ta23r4sPq |
| Name |
2-[(3S,4S)-2-[Cyano(dimethylamino)methylene]-3,4-bis(3-pyrrolidin-1-ylphenyl)cyclobutylidene]-2-(dimethylamino)acetonitrile |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.315795248 u |
| Formula |
C32H38N6 |
| InChI |
InChI=1S/C32H38N6/c1-35(2)27(21-33)31-29(23-11-9-13-25(19-23)37-15-5-6-16-37)30(32(31)28(22-34)36(3)4)24-12-10-14-26(20-24)38-17-7-8-18-38/h9-14,19-20,29-30H,5-8,15-18H2,1-4H3/t29-,30-/m1/s1 |
| InChIKey |
DYKDOMRDYGBFIA-LOYHVIPDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502503 |
| Molecular Weight |
506.698 g/mol |
| Quality |
16 |
| Reported Formula |
C32H38N6 |
| SMILES |
[C@]1(C(C([C@@]1(C1=CC(=CC=C1)N1CCCC1)[H])=C(C#N)N(C)C)=C(N(C)C)C#N)(C1=CC=CC(=C1)N1CCCC1)[H] |
| SPLASH |
splash10-0bt9-0111690000-89f4ea2dc42e177b848b |
| Source of Spectrum |
QE-21-SM9-2k (DOI: 10.1002/chem.201502503) |
| Thin-Layer Chromatography |
0.54 (PE/EA, 3:1) |
| Wiley ID |
1907178 |
![2-[(3S,4S)-2-[Cyano(dimethylamino)methylene]-3,4-bis(3-pyrrolidin-1-ylphenyl)cyclobutylidene]-2-(dimethylamino)acetonitrile](/api/spectrum/70ta23r4sPq/structure.png?h=300&w=458 "2-[(3S,4S)-2-[Cyano(dimethylamino)methylene]-3,4-bis(3-pyrrolidin-1-ylphenyl)cyclobutylidene]-2-(dimethylamino)acetonitrile")
