| SpectraBase Spectrum ID |
ogNz9NPJ1A |
| Name |
(S)-3-Benzyl-5,6-dichloroisobenzofuran-1(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.005784960 u |
| Formula |
C15H10Cl2O2 |
| InChI |
InChI=1S/C15H10Cl2O2/c16-12-7-10-11(8-13(12)17)15(18)19-14(10)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6H2/t14-/m0/s1 |
| InChIKey |
UGZOBFCOOJEPAA-AWEZNQCLSA-N |
| Molecular Weight |
293.149 g/mol |
| SMILES |
C=1(C=C2C(=O)O[C@@](CC3=CC=CC=C3)(C2=CC1Cl)[H])Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812454 |
