SpectraBase Compound ID | Cgo0iZfiMxW |
---|---|
InChI | InChI=1S/C10H8F2O/c1-7(11)9(12)10(13)8-5-3-2-4-6-8/h2-6H,1H3/b9-7+ |
InChIKey | XREJPFQTCYQDRK-VQHVLOKHSA-N |
Mol Weight | 182.17 g/mol |
Molecular Formula | C10H8F2O |
Exact Mass | 182.054321 g/mol |
SpectraBase Spectrum ID | 5Wd9VmDtEN1 |
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Name | (E)-2,3-Difluoro-1-phenyl-2-buten-1-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 182.054321203 u |
Formula | C10H8F2O |
InChI | InChI=1S/C10H8F2O/c1-7(11)9(12)10(13)8-5-3-2-4-6-8/h2-6H,1H3/b9-7+ |
InChIKey | XREJPFQTCYQDRK-VQHVLOKHSA-N |
Molecular Weight | 182.170 g/mol |
SMILES | C(=O)(C1=CC=CC=C1)\C(F)=C\(F)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914373 |