SpectraBase Compound ID | 3chWOdSUhOQ |
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InChI | InChI=1S/C5H10BClO2/c7-5-3-1-2-4-6(8)9/h2,4,8-9H,1,3,5H2/b4-2+ |
InChIKey | AWQUWTLNJDUEMT-DUXPYHPUSA-N |
Mol Weight | 148.4 g/mol |
Molecular Formula | C5H10BClO2 |
Exact Mass | 148.046237 g/mol |
SpectraBase Spectrum ID | 8iyZyp4dH25 |
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Name | (E)-5-Chloro-1-penteneboronic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 148.046237430 u |
Formula | C5H10BClO2 |
InChI | InChI=1S/C5H10BClO2/c7-5-3-1-2-4-6(8)9/h2,4,8-9H,1,3,5H2/b4-2+ |
InChIKey | AWQUWTLNJDUEMT-DUXPYHPUSA-N |
SMILES | C(\C=C\B(O)O)CCCl |
Spectrum/Structure Validation Score (Raman) | 0.80281 |