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2,2,2-trifluoro-N-(2-(3-hydroxyprop-1-ynyl)-4-methyl-6-nitrophenyl)acetamide
SpectraBase Compound ID 2SAlhW82O3H
InChI InChI=1S/C12H9F3N2O4/c1-7-5-8(3-2-4-18)10(9(6-7)17(20)21)16-11(19)12(13,14)15/h5-6,18H,4H2,1H3,(H,16,19)
InChIKey SNJKLLVIFXLYIF-UHFFFAOYSA-N
Mol Weight 302.21 g/mol
Molecular Formula C12H9F3N2O4
Exact Mass 302.051441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYXdGEruUds
Name 2,2,2-trifluoro-N-(2-(3-hydroxyprop-1-ynyl)-4-methyl-6-nitrophenyl)acetamide
Alternate Name(s) 2,2,2-trifluoro-N-(2-(3-hydroxyprop-1-yn-1-yl)-4-methyl-6-nitrophenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F3N2O4
InChI InChI=1S/C12H9F3N2O4/c1-7-5-8(3-2-4-18)10(9(6-7)17(20)21)16-11(19)12(13,14)15/h5-6,18H,4H2,1H3,(H,16,19)
InChIKey SNJKLLVIFXLYIF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201400881
Molecular Weight 302.209 g/mol
SMILES OCC#Cc1cc(cc(c1NC(C(F)(F)F)=O)[N+](=O)[O-])C
SPLASH splash10-014i-9000000000-4647ad59ee05e56bd9d9
Source of Spectrum ASC-357-1053/SM4-1c
Wiley ID 1770988