SpectraBase Compound ID | 123DbywCO1L |
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InChI | InChI=1S/C5H11ClO2/c1-3-8-5(4-6)7-2/h5H,3-4H2,1-2H3 |
InChIKey | XKRBMZSZPSBGLI-UHFFFAOYSA-N |
Mol Weight | 138.59 g/mol |
Molecular Formula | C5H11ClO2 |
Exact Mass | 138.044757 g/mol |
SpectraBase Spectrum ID | Kd9mSC81O20 |
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Name | Ethane, 2-chloro-1-ethoxy-1-methoxy- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 138.044757292 u |
Formula | C5H11ClO2 |
InChI | InChI=1S/C5H11ClO2/c1-3-8-5(4-6)7-2/h5H,3-4H2,1-2H3 |
InChIKey | XKRBMZSZPSBGLI-UHFFFAOYSA-N |
SMILES | COC(CCl)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956694 |