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3-Bromanyl-6-methoxy-2-(4-methylsulfanylphenyl)chromen-4-one

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

3-Bromanyl-6-methoxy-2-(4-methylsulfanylphenyl)chromen-4-one
SpectraBase Compound ID 9byrFiTA2JZ
InChI InChI=1S/C17H13BrO3S/c1-20-11-5-8-14-13(9-11)16(19)15(18)17(21-14)10-3-6-12(22-2)7-4-10/h3-9H,1-2H3
InChIKey REKGMDPLIYSDGU-UHFFFAOYSA-N
Mol Weight 377.25 g/mol
Molecular Formula C17H13BrO3S
Exact Mass 375.976878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AiA51cpBZqV
Name 3-Bromanyl-6-methoxy-2-(4-methylsulfanylphenyl)chromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.976878450 u
Formula C17H13BrO3S
InChI InChI=1S/C17H13BrO3S/c1-20-11-5-8-14-13(9-11)16(19)15(18)17(21-14)10-3-6-12(22-2)7-4-10/h3-9H,1-2H3
InChIKey REKGMDPLIYSDGU-UHFFFAOYSA-N
Molecular Weight 377.252 g/mol
SMILES C1(=C(OC=2C(C1=O)=CC(=CC2)OC)C=1C=CC(=CC1)SC)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838946