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2-Propen-1-one, 1-(4-bromophenyl)-3,3-dimercapto-
SpectraBase Compound ID JVHsp8dYAyA
InChI InChI=1S/C9H7BrOS2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-5,12-13H
InChIKey TWIZKULULDWTSU-UHFFFAOYSA-N
Mol Weight 275.18 g/mol
Molecular Formula C9H7BrOS2
Exact Mass 273.91217 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 82VUNNXwMYR
Name 2-Propen-1-one, 1-(4-bromophenyl)-3,3-dimercapto-; acrylophenone, 4'-bromo-3,3-dimercapto-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.912170192 u
Formula C9H7BrOS2
InChI InChI=1S/C9H7BrOS2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-5,12-13H
InChIKey TWIZKULULDWTSU-UHFFFAOYSA-N
SMILES SC(=CC(C1=CC=C(C=C1)Br)=O)S
Spectrum/Structure Validation Score (Raman) 0.945466