SpectraBase Compound ID | J5rjc7qbG6K |
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InChI | InChI=1S/C3HBr2F3/c4-1-2(6)3(5,7)8/h1H/b2-1- |
InChIKey | SIFTZTFATMYVPT-UPHRSURJSA-N |
Mol Weight | 253.844 g/mol |
Molecular Formula | C3HBr2F3 |
Exact Mass | 251.839711 g/mol |
SpectraBase Spectrum ID | D0k0OtS9Xa8 |
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Name | 1,3-Dibromo-2,3,3-trifluoroprop-1-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 251.839710521 u |
Formula | C3HBr2F3 |
InChI | InChI=1S/C3HBr2F3/c4-1-2(6)3(5,7)8/h1H/b2-1- |
InChIKey | SIFTZTFATMYVPT-UPHRSURJSA-N |
Molecular Weight | 253.844 g/mol |
SMILES | C(\C(=C\Br)F)(F)(F)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931045 |