SpectraBase Compound ID | KY3eonLzXE7 |
---|---|
InChI | InChI=1S/C7H5FO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11) |
InChIKey | IUSDEKNMCOUBEE-UHFFFAOYSA-N |
Mol Weight | 156.11 g/mol |
Molecular Formula | C7H5FO3 |
Exact Mass | 156.022272 g/mol |
SpectraBase Spectrum ID | XKMFj7o8L2 |
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Name | 3-Fluoro-4-hydroxybenzoic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 156.022272181 u |
Formula | C7H5FO3 |
InChI | InChI=1S/C7H5FO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11) |
InChIKey | IUSDEKNMCOUBEE-UHFFFAOYSA-N |
Molecular Weight | 156.112 g/mol |
SMILES | C1(F)=CC(C(=O)O)=CC=C1O |
Spectrum/Structure Validation Score (Raman) | 0.921819 |