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Methyl N-[2,4-difluoro-3-(hydroxymethyl)phenyl]carbamate
SpectraBase Compound ID CUBdgbgf9Wd
InChI InChI=1S/C9H9F2NO3/c1-15-9(14)12-7-3-2-6(10)5(4-13)8(7)11/h2-3,13H,4H2,1H3,(H,12,14)
InChIKey SPPUCESLNNJUGL-UHFFFAOYSA-N
Mol Weight 217.17 g/mol
Molecular Formula C9H9F2NO3
Exact Mass 217.055049 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IuP7UGljkHK
Name Methyl N-[2,4-difluoro-3-(hydroxymethyl)phenyl]carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.055049477 u
Formula C9H9F2NO3
InChI InChI=1S/C9H9F2NO3/c1-15-9(14)12-7-3-2-6(10)5(4-13)8(7)11/h2-3,13H,4H2,1H3,(H,12,14)
InChIKey SPPUCESLNNJUGL-UHFFFAOYSA-N
Molecular Weight 217.172 g/mol
SMILES C1=C(C(CO)=C(C(=C1)NC(OC)=O)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856002