| SpectraBase Spectrum ID |
LpBmRWcjSJa |
| Name |
4-((3-Isobutyrylphenyl)ethynyl)benzamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.125928789 u |
| Formula |
C19H17NO2 |
| InChI |
InChI=1S/C19H17NO2/c1-13(2)18(21)17-5-3-4-15(12-17)7-6-14-8-10-16(11-9-14)19(20)22/h3-5,8-13H,1-2H3,(H2,20,22) |
| InChIKey |
LGGKZOHQPYJTBX-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 6890 or 5890 Series II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201704400 |
| Molecular Weight |
291.350 g/mol |
| Quality |
3 |
| Reported Formula |
C19H17NO2 |
| SMILES |
NC(C1=CC=C(C#CC2=CC(C(C(C)C)=O)=CC=C2)C=C1)=O |
| SPLASH |
splash10-0002-0090000000-afa234a1bc9d91613865 |
| Source of Spectrum |
ACI-56-SM12-6g (DOI: 10.1002/anie.201704400) |
| Wiley ID |
1896193 |
