SpectraBase Compound ID | BKF27NXxTsM |
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InChI | InChI=1S/C10H9FO2/c11-8-5-4-6-7(10(8)13)2-1-3-9(6)12/h1-3,8,12H,4-5H2 |
InChIKey | VKIZBAPIKQQMJS-UHFFFAOYSA-N |
Mol Weight | 180.18 g/mol |
Molecular Formula | C10H9FO2 |
Exact Mass | 180.058658 g/mol |
SpectraBase Spectrum ID | 4vqPSfkYrwP |
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Name | 2-Fluoro-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 180.058657691 u |
Formula | C10H9FO2 |
InChI | InChI=1S/C10H9FO2/c11-8-5-4-6-7(10(8)13)2-1-3-9(6)12/h1-3,8,12H,4-5H2 |
InChIKey | VKIZBAPIKQQMJS-UHFFFAOYSA-N |
Molecular Weight | 180.178 g/mol |
SMILES | C1(O)=CC=CC2=C1CCC(C2=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846724 |