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2-((1R*,2S*)-3-Fluorophenylethynyl)cyclopropyl]methanol

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2-((1R*,2S*)-3-Fluorophenylethynyl)cyclopropyl]methanol
SpectraBase Compound ID 8Cv9SOx1t9e
InChI InChI=1S/C12H11FO/c13-12-3-1-2-9(6-12)4-5-10-7-11(10)8-14/h1-3,6,10-11,14H,7-8H2/t10-,11-/m0/s1
InChIKey AIRBJCAESRUZCN-QWRGUYRKSA-N
Mol Weight 190.22 g/mol
Molecular Formula C12H11FO
Exact Mass 190.079393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2GHllDTSP65
Name 2-((1R*,2S*)-3-Fluorophenylethynyl)cyclopropyl]methanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.079393136 u
Formula C12H11FO
InChI InChI=1S/C12H11FO/c13-12-3-1-2-9(6-12)4-5-10-7-11(10)8-14/h1-3,6,10-11,14H,7-8H2/t10-,11-/m0/s1
InChIKey AIRBJCAESRUZCN-QWRGUYRKSA-N
Molecular Weight 190.217 g/mol
SMILES [C@]1(C#CC2=CC(=CC=C2)F)([C@](CO)(C1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870914