SpectraBase Compound ID | DMTZN8u8TK6 |
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InChI | InChI=1S/C5H9ClO2/c6-3-5-4-7-1-2-8-5/h5H,1-4H2 |
InChIKey | SFABQWISNPPOOB-UHFFFAOYSA-N |
Mol Weight | 136.58 g/mol |
Molecular Formula | C5H9ClO2 |
Exact Mass | 136.029107 g/mol |
SpectraBase Spectrum ID | JgVTWJ7s5v3 |
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Name | 2-(Chloromethyl)-1,4-dioxane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 136.029107228 u |
Formula | C5H9ClO2 |
InChI | InChI=1S/C5H9ClO2/c6-3-5-4-7-1-2-8-5/h5H,1-4H2 |
InChIKey | SFABQWISNPPOOB-UHFFFAOYSA-N |
SMILES | C(C1OCCOC1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981564 |