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Propenone, 1-(4-chlorophenyl)-3-mercapto-3-methylthio-

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

Propenone, 1-(4-chlorophenyl)-3-mercapto-3-methylthio-
SpectraBase Compound ID HwL1B11Q5FI
InChI InChI=1S/C10H9ClOS2/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-6,13H,1H3/b10-6+
InChIKey JJPJUVTVQDNAEQ-UXBLZVDNSA-N
Mol Weight 244.75 g/mol
Molecular Formula C10H9ClOS2
Exact Mass 243.978335 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AoMlMnWxYIb
Name Propenone, 1-(4-chlorophenyl)-3-mercapto-3-methylthio-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.978334957 u
Formula C10H9ClOS2
InChI InChI=1S/C10H9ClOS2/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-6,13H,1H3/b10-6+
InChIKey JJPJUVTVQDNAEQ-UXBLZVDNSA-N
Molecular Weight 244.754 g/mol
SMILES C(\C=C/(S)SC)(C1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940678