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3-(Chloromethyl)-2-methyl-1-benzothiopyran-4-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-(Chloromethyl)-2-methyl-1-benzothiopyran-4-one
SpectraBase Compound ID MuvrhiHRur
InChI InChI=1S/C11H9ClOS/c1-7-9(6-12)11(13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3
InChIKey KCRHRXKWESGUKV-UHFFFAOYSA-N
Mol Weight 224.7 g/mol
Molecular Formula C11H9ClOS
Exact Mass 224.006264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G4xk6U4dyWa
Name 3-(Chloromethyl)-2-methyl-1-benzothiopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.006263783 u
Formula C11H9ClOS
InChI InChI=1S/C11H9ClOS/c1-7-9(6-12)11(13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3
InChIKey KCRHRXKWESGUKV-UHFFFAOYSA-N
Molecular Weight 224.705 g/mol
SMILES C1(=O)C2=C(C=CC=C2)SC(=C1CCl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939488