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N-(2,4-Difluorophenyl)-[2,2,2-D3,1-13C]acetamide
SpectraBase Compound ID 5P5LaIye1xN
InChI InChI=1S/C8H7F2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)/i1D3,5+1
InChIKey WOHLPEUHFSHZAN-PCXDQIRNSA-N
Mol Weight 175.16 g/mol
Molecular Formula C713CH4D3F2NO
Exact Mass 175.071755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BT0ql0lXYu1
Name N-(2,4-Difluorophenyl)-[2,2,2-D3,1-13C]acetamide
Comments Original formula: C7[13C]H4D3F2NO
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7F2NO
InChI InChI=1S/C8H7F2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)/i1D3,5+1
InChIKey WOHLPEUHFSHZAN-PCXDQIRNSA-N
Molecular Weight 175.157 g/mol
SMILES N([13C](=O)C([D])([D])[D])c1c(cc(cc1)F)F
SPLASH splash10-001j-5900000000-0eab7f25ce6ffd9095f6
Source of Spectrum O-30-747-0
Synonyms N-(2,4-Difluorophenyl)-[2,2,2-trideutero,1-[¹³C]]acetamide -[2H]and[¹³C]-labelled
Wiley ID 1167829