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3-(NITROMETHYL)-4-PHENYL-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE

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3-(NITROMETHYL)-4-PHENYL-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE
SpectraBase Compound ID IxVXndLPZq8
InChI InChI=1S/C10H7F3N4O2/c11-10(12,13)9-15-14-8(6-16(18)19)17(9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey CCWKAEQZEFAHKA-UHFFFAOYSA-N
Mol Weight 272.19 g/mol
Molecular Formula C10H7F3N4O2
Exact Mass 272.05211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ikN1iDyd3o
Name 3-(NITROMETHYL)-4-PHENYL-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7F3N4O2
InChI InChI=1S/C10H7F3N4O2/c11-10(12,13)9-15-14-8(6-16(18)19)17(9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey CCWKAEQZEFAHKA-UHFFFAOYSA-N
Melting Point 91-93C
Molecular Weight 272.19
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms TRIAZOLE, 4H-1,2,4-, 3-/NITROMETHYL/-4-PHENYL-5-/TRIFLUOROMETHYL/-,