SpectraBase Compound ID | HtoV0leEp6f |
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InChI | InChI=1S/C6H10BrClO2/c7-5(8)6(9)3-1-2-4-10-6/h5,9H,1-4H2 |
InChIKey | QHAFLBZVRJFYBC-UHFFFAOYSA-N |
Mol Weight | 229.5 g/mol |
Molecular Formula | C6H10BrClO2 |
Exact Mass | 227.95527 g/mol |
SpectraBase Spectrum ID | 39nCyv6KTXO |
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Name | 2-(Bromochloromethyl)-2-hydroxytetrahydropyran |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 227.955270260 u |
Formula | C6H10BrClO2 |
InChI | InChI=1S/C6H10BrClO2/c7-5(8)6(9)3-1-2-4-10-6/h5,9H,1-4H2 |
InChIKey | QHAFLBZVRJFYBC-UHFFFAOYSA-N |
Molecular Weight | 229.501 g/mol |
SMILES | C1(C(Cl)Br)(OCCCC1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911697 |