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5-Amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile

View entire compound with spectra: 1 MS (GC)

5-Amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID IiAUupTW0TY
InChI InChI=1S/C11H6F3N5O2/c12-11(13,14)7-1-2-8(9(3-7)19(20)21)18-10(16)6(4-15)5-17-18/h1-3,5H,16H2
InChIKey CHSSXZWQMONVKB-UHFFFAOYSA-N
Mol Weight 297.2 g/mol
Molecular Formula C11H6F3N5O2
Exact Mass 297.047359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7s5kSfuop8p
Name 5-Amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile
Alternate Name(s) 5-Amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-pyrazolecarbonitrile 5-Amino-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile 5-Azanyl-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CAS Registry Number 74990-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6F3N5O2
InChI InChI=1S/C11H6F3N5O2/c12-11(13,14)7-1-2-8(9(3-7)19(20)21)18-10(16)6(4-15)5-17-18/h1-3,5H,16H2
InChIKey CHSSXZWQMONVKB-UHFFFAOYSA-N
Molecular Weight 297.197 g/mol
SMILES Nc1[n](-c2c(N(=O)=O)cc(C(F)(F)F)cc2)ncc1C#N
SPLASH splash10-0002-0090000000-8787b40d7c98d8cd3459
Source of Spectrum Y-17-265-0
Wiley ID 1299879