SpectraBase Spectrum ID |
3ocU05jqBJX |
Name |
3-Allyl-1-phenyl-5-oxo-chromano-[2,3-B]-dihydro-2(1H)-pyridone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
329.105193344 u |
Formula |
C21H15NO3 |
InChI |
InChI=1S/C21H15NO3/c1-2-8-14-13-17-19(23)16-11-6-7-12-18(16)25-21(17)22(20(14)24)15-9-4-3-5-10-15/h2-7,9-13H,1,8H2 |
InChIKey |
KPLZYZZPTIBZBF-UHFFFAOYSA-N |
Molecular Weight |
329.355 g/mol |
SMILES |
C1(=O)C(=CC=2C(=O)C3=CC=CC=C3OC2N1C1=CC=CC=C1)CC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913095 |