SpectraBase Spectrum ID |
IliygjPPJbt |
Name |
2(3H)-Benzofuranone, 5-chloro-3-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
244.029107228 u |
Formula |
C14H9ClO2 |
InChI |
InChI=1S/C14H9ClO2/c15-10-6-7-12-11(8-10)13(14(16)17-12)9-4-2-1-3-5-9/h1-8,13H |
InChIKey |
GEMLLCCRVLWNIW-UHFFFAOYSA-N |
Molecular Weight |
244.677 g/mol |
SMILES |
C1(C(OC=2C=CC(=CC12)Cl)=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Raman) |
0.964353 |