| SpectraBase Spectrum ID |
60mfhvWAUin |
| Name |
4-[2-(3-Ketobut-1-ynyl)phenyl]but-3-yn-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.068079560 u |
| Formula |
C14H10O2 |
| InChI |
InChI=1S/C14H10O2/c1-11(15)7-9-13-5-3-4-6-14(13)10-8-12(2)16/h3-6H,1-2H3 |
| InChIKey |
DCPMBEOPSRNTLG-UHFFFAOYSA-N |
| Molecular Weight |
210.232 g/mol |
| SMILES |
C=1(C(=CC=CC1)C#CC(C)=O)C#CC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939606 |
![4-[2-(3-Ketobut-1-ynyl)phenyl]but-3-yn-2-one](/api/spectrum/60mfhvWAUin/structure.png?h=300&w=458 "4-[2-(3-Ketobut-1-ynyl)phenyl]but-3-yn-2-one")
