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2-(4-Cholorophenyl)-2-(phenylthio)penta-3,4-dienal

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

2-(4-Cholorophenyl)-2-(phenylthio)penta-3,4-dienal
SpectraBase Compound ID 3PansAK7q39
InChI InChI=1S/C17H13ClOS/c1-2-12-17(13-19,14-8-10-15(18)11-9-14)20-16-6-4-3-5-7-16/h3-13H,1H2
InChIKey NVIXRPBZBNUWBQ-UHFFFAOYSA-N
Mol Weight 300.8 g/mol
Molecular Formula C17H13ClOS
Exact Mass 300.037564 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 834DmQ6JM8g
Name 2-(4-Cholorophenyl)-2-(phenylthio)penta-3,4-dienal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.037563912 u
Formula C17H13ClOS
InChI InChI=1S/C17H13ClOS/c1-2-12-17(13-19,14-8-10-15(18)11-9-14)20-16-6-4-3-5-7-16/h3-13H,1H2
InChIKey NVIXRPBZBNUWBQ-UHFFFAOYSA-N
Molecular Weight 300.803 g/mol
SMILES C(C(SC1=CC=CC=C1)(C1=CC=C(Cl)C=C1)C=O)=C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930818