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Trans-3'-bromo-4-(methylthio)chalcone

View entire compound with spectra: 1 FTIR

Trans-3'-bromo-4-(methylthio)chalcone
SpectraBase Compound ID AfT3cSj2x7n
InChI InChI=1S/C16H13BrOS/c1-19-15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-11H,1H3/b10-7+
InChIKey JIIBFLPIODWPEU-JXMROGBWSA-N
Mol Weight 333.24 g/mol
Molecular Formula C16H13BrOS
Exact Mass 331.987049 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KQcNFqjfgWL
Name Trans-3'-bromo-4-(methylthio)chalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.987049212 u
Formula C16H13BrOS
InChI InChI=1S/C16H13BrOS/c1-19-15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-11H,1H3/b10-7+
InChIKey JIIBFLPIODWPEU-JXMROGBWSA-N
Molecular Weight 333.243 g/mol
SMILES C1(=CC(=CC=C1)Br)C(\C=C\C1=CC=C(C=C1)SC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905042