SpectraBase Compound ID | 4XQjfFGze6n |
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InChI | InChI=1S/C6H11ClO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5H2 |
InChIKey | OUHKFXVGQOYKIY-UHFFFAOYSA-N |
Mol Weight | 150.6 g/mol |
Molecular Formula | C6H11ClO2 |
Exact Mass | 150.044757 g/mol |
SpectraBase Spectrum ID | 5tOQLlXuMo7 |
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Name | 2H-Pyran-4-ol, 4-(chloromethyl)tetrahydro- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 150.044757292 u |
Formula | C6H11ClO2 |
InChI | InChI=1S/C6H11ClO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5H2 |
InChIKey | OUHKFXVGQOYKIY-UHFFFAOYSA-N |
SMILES | OC1(CCOCC1)CCl |
Spectrum/Structure Validation Score (Raman) | 0.845274 |