| SpectraBase Spectrum ID |
1FlWQPuUp7M |
| Name |
5-(1-Butynyl)-6-phenyl-2(2H)-pyranone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.083729624 u |
| Formula |
C15H12O2 |
| InChI |
InChI=1S/C15H12O2/c1-2-3-7-13-10-11-14(16)17-15(13)12-8-5-4-6-9-12/h4-6,8-11H,2H2,1H3 |
| InChIKey |
JDNHNOCTUMDUDC-UHFFFAOYSA-N |
| Molecular Weight |
224.259 g/mol |
| SMILES |
C1(C=CC(=C(O1)C=1C=CC=CC1)C#CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892609 |
