SpectraBase Compound ID | AU5o8yZCqkv |
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InChI | InChI=1S/C11H14FNO.ClH/c1-3-13-8(2)11(14)9-6-4-5-7-10(9)12;/h4-8,13H,3H2,1-2H3;1H |
InChIKey | KTOPCLKOHAWJCM-UHFFFAOYSA-N |
Mol Weight | 231.7 g/mol |
Molecular Formula | C11H15ClFNO |
Exact Mass | 231.08262 g/mol |
SpectraBase Spectrum ID | 4U8oKR33QTy |
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Name | 2-Fluoroethcathinone hydrochloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 231.082619969 u |
Formula | C11H15ClFNO |
InChI | InChI=1S/C11H14FNO.ClH/c1-3-13-8(2)11(14)9-6-4-5-7-10(9)12;/h4-8,13H,3H2,1-2H3;1H |
InChIKey | KTOPCLKOHAWJCM-UHFFFAOYSA-N |
Molecular Weight | 231.698 g/mol |
SMILES | Cl.N(C(C(C1=CC=CC=C1F)=O)C)CC |
Spectrum/Structure Validation Score (Raman) | 0.973874 |