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6-Methyl-2-(4-bromophenyl)-5-phenylthio-2,3-dihydro-4-pyrone

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

6-Methyl-2-(4-bromophenyl)-5-phenylthio-2,3-dihydro-4-pyrone
SpectraBase Compound ID H9PAMgkbeiG
InChI InChI=1S/C18H15BrO2S/c1-12-18(22-15-5-3-2-4-6-15)16(20)11-17(21-12)13-7-9-14(19)10-8-13/h2-10,17H,11H2,1H3
InChIKey HLHGTYHSRSVSRQ-UHFFFAOYSA-N
Mol Weight 375.28 g/mol
Molecular Formula C18H15BrO2S
Exact Mass 373.997614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JSMCkkJb6XQ
Name 6-Methyl-2-(4-bromophenyl)-5-phenylthio-2,3-dihydro-4-pyrone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.997613895 u
Formula C18H15BrO2S
InChI InChI=1S/C18H15BrO2S/c1-12-18(22-15-5-3-2-4-6-15)16(20)11-17(21-12)13-7-9-14(19)10-8-13/h2-10,17H,11H2,1H3
InChIKey HLHGTYHSRSVSRQ-UHFFFAOYSA-N
Molecular Weight 375.280 g/mol
SMILES C1(CC(C(=C(O1)C)SC=1C=CC=CC1)=O)C=1C=CC(=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919322