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3-Bromo-4,5,6-triphenyl-2H-pyran-2-thione

View entire compound with spectra: 1 FTIR, and 1 Raman

3-Bromo-4,5,6-triphenyl-2H-pyran-2-thione
SpectraBase Compound ID LXE02ljIDv1
InChI InChI=1S/C23H15BrOS/c24-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(25-23(21)26)18-14-8-3-9-15-18/h1-15H
InChIKey GULPUMOBVFEQJW-UHFFFAOYSA-N
Mol Weight 419.34 g/mol
Molecular Formula C23H15BrOS
Exact Mass 418.002699 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1TJ03aQhr2L
Name 3-Bromo-4,5,6-triphenyl-2H-pyran-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.002699276 u
Formula C23H15BrOS
InChI InChI=1S/C23H15BrOS/c24-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(25-23(21)26)18-14-8-3-9-15-18/h1-15H
InChIKey GULPUMOBVFEQJW-UHFFFAOYSA-N
Molecular Weight 419.336 g/mol
SMILES C=1C=CC(=CC1)C=1C(C=2C=CC=CC2)=C(OC(C1Br)=S)C1=CC=CC=C1
Spectrum/Structure Validation Score (Raman) 0.973275