SpectraBase Compound ID | JVHsp8dYAyA |
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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 |
SpectraBase Spectrum ID | 82VUNNXwMYR |
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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 |