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N-[2-(1-Benzyl-1H-1,2,3-triazol-4-yl)propan-2-yl]-3-fluoro-2,6-dimethylbenzamide
SpectraBase Compound ID 3b260Ijq3pv
InChI InChI=1S/C21H23FN4O/c1-14-10-11-17(22)15(2)19(14)20(27)23-21(3,4)18-13-26(25-24-18)12-16-8-6-5-7-9-16/h5-11,13H,12H2,1-4H3,(H,23,27)
InChIKey ROIPAJULZWZFHT-UHFFFAOYSA-N
Mol Weight 366.44 g/mol
Molecular Formula C21H23FN4O
Exact Mass 366.18559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ikp6bmr973u
Name N-[2-(1-Benzyl-1H-1,2,3-triazol-4-yl)propan-2-yl]-3-fluoro-2,6-dimethylbenzamide
Appearance Colorless solid
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Exact Mass 366.185589539 u
Formula C21H23FN4O
InChI InChI=1S/C21H23FN4O/c1-14-10-11-17(22)15(2)19(14)20(27)23-21(3,4)18-13-26(25-24-18)12-16-8-6-5-7-9-16/h5-11,13H,12H2,1-4H3,(H,23,27)
InChIKey ROIPAJULZWZFHT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501134
Molecular Weight 366.440 g/mol
Quality 106
Reported Formula C21H23N4O
SMILES N(C(C=1C(=C(C=CC1C)F)C)=O)C(C1=CN(N=N1)CC1=CC=CC=C1)(C)C
SPLASH splash10-0fdo-9815000000-777eb25a37db2c8a0f70
Source of Spectrum QE-21-SM12-2p (DOI: 10.1002/chem.201501134)
Wiley ID 1906640