SpectraBase Compound ID | HOe7v6wwdrF |
---|---|
InChI | InChI=1S/C8H7ClO2/c1-5-2-3-7(9)8(11)6(5)4-10/h2-4,11H,1H3 |
InChIKey | LPMXSVMNUSEYPY-UHFFFAOYSA-N |
Mol Weight | 170.59 g/mol |
Molecular Formula | C8H7ClO2 |
Exact Mass | 170.013457 g/mol |
SpectraBase Spectrum ID | Bgh7EL4XSEF |
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Name | 3-Chloro-2-hydroxy-6-methylbenzaldehyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.013457163 u |
Formula | C8H7ClO2 |
InChI | InChI=1S/C8H7ClO2/c1-5-2-3-7(9)8(11)6(5)4-10/h2-4,11H,1H3 |
InChIKey | LPMXSVMNUSEYPY-UHFFFAOYSA-N |
Molecular Weight | 170.595 g/mol |
SMILES | C(=O)C1=C(O)C(Cl)=CC=C1C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86782 |