| SpectraBase Spectrum ID |
1xHlq5TYsy |
| Name |
4-(2-((4-bromophenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.041192785 u |
| Formula |
C21H17BrO2 |
| InChI |
InChI=1S/C21H17BrO2/c1-16(23)24-21(2,3)15-14-19-7-5-4-6-18(19)11-8-17-9-12-20(22)13-10-17/h4-7,9-10,12-13H,1-3H3 |
| InChIKey |
PRPAUBNCRGBDGW-UHFFFAOYSA-N |
| Instrument Name |
JEOL JMD-700 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.201501725 |
| Molecular Weight |
381.269 g/mol |
| Quality |
211 |
| Reported Formula |
C21H17(79)BrO2 |
| SMILES |
C1=C(C(=CC=C1)C#CC1=CC=C(C=C1)Br)C#CC(OC(C)=O)(C)C |
| SPLASH |
splash10-0076-0098000000-e03a6088c55e55a7b4b9 |
| Source of Spectrum |
QE-21-SM47-1j (DOI: 10.1002/chem.201501725) |
| Thin-Layer Chromatography |
0.45 (PE/EA, 5:1) |
| Wiley ID |
1907067 |
