SpectraBase Compound ID | 86VHvpzVJkr |
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InChI | InChI=1S/C6H9ClO2/c1-2-4-3-6(4,7)5(8)9/h4H,2-3H2,1H3,(H,8,9) |
InChIKey | VLWUDDFUODIBIC-UHFFFAOYSA-N |
Mol Weight | 148.59 g/mol |
Molecular Formula | C6H9ClO2 |
Exact Mass | 148.029107 g/mol |
SpectraBase Spectrum ID | KLILvJfWePV |
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Name | 1-Chloro-2-ethylcyclopropanecarboxylic acid |
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/c1-2-4-3-6(4,7)5(8)9/h4H,2-3H2,1H3,(H,8,9) |
InChIKey | VLWUDDFUODIBIC-UHFFFAOYSA-N |
SMILES | C1(C(C1)CC)(C(=O)O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979768 |