SpectraBase Compound ID | 5AxU5GDtE9r |
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InChI | InChI=1S/C6H9ClO2/c7-2-1-3-8-4-6-5-9-6/h1-2,6H,3-5H2/b2-1+ |
InChIKey | NIHUGASCAJHXJK-OWOJBTEDSA-N |
Mol Weight | 148.59 g/mol |
Molecular Formula | C6H9ClO2 |
Exact Mass | 148.029107 g/mol |
SpectraBase Spectrum ID | 8g9o40jCUCS |
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Name | Oxirane, [[(3-chloro-2-propenyl)oxy]methyl]-, (E)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 148.029107228 u |
Formula | C6H9ClO2 |
InChI | InChI=1S/C6H9ClO2/c7-2-1-3-8-4-6-5-9-6/h1-2,6H,3-5H2/b2-1+ |
InChIKey | NIHUGASCAJHXJK-OWOJBTEDSA-N |
SMILES | C1(OC1)COC\C=C\Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926596 |