| SpectraBase Spectrum ID |
HdViPtRJb5U |
| Name |
3,5-Bis((4-tert-butylphenyl)ethynyl)-4-(1H-pyrrol-1-yl)pyridine |
| Appearance |
Yellow solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.256549038 u |
| Formula |
C33H32N2 |
| InChI |
InChI=1S/C33H32N2/c1-32(2,3)29-17-11-25(12-18-29)9-15-27-23-34-24-28(31(27)35-21-7-8-22-35)16-10-26-13-19-30(20-14-26)33(4,5)6/h7-8,11-14,17-24H,1-6H3 |
| InChIKey |
UYSRKJLKEQPNMZ-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 5890-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701347 |
| Molecular Weight |
456.633 g/mol |
| Quality |
360 |
| Reported Formula |
C33H32N2 |
| SMILES |
C=1(C#CC2=CC=C(C=C2)C(C)(C)C)C=NC=C(C#CC2=CC=C(C=C2)C(C)(C)C)C1N1C=CC=C1 |
| SPLASH |
splash10-0a4i-0101900000-e3cecf28450973d3a5a9 |
| Source of Spectrum |
ACI-56-SM4-3d (DOI: 10.1002/anie.201701347) |
| Wiley ID |
1895751 |
