SpectraBase Compound ID | 8miX2IsuClj |
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InChI | InChI=1S/C8H5ClO2/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-3H,4H2 |
InChIKey | PSVXTJFRMXQUCP-UHFFFAOYSA-N |
Mol Weight | 168.58 g/mol |
Molecular Formula | C8H5ClO2 |
Exact Mass | 167.997807 g/mol |
SpectraBase Spectrum ID | 4EgUl5nriwz |
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Name | 5-Chloro-2(3H)-benzofuranone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 167.997807099 u |
Formula | C8H5ClO2 |
InChI | InChI=1S/C8H5ClO2/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-3H,4H2 |
InChIKey | PSVXTJFRMXQUCP-UHFFFAOYSA-N |
Molecular Weight | 168.579 g/mol |
SMILES | C1=C(C=C2CC(OC2=C1)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879606 |