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TRANS-6-(3-NITRO-1,2,4-TRIAZOL-1-YL)-3,5-DIPHENYLCYCLOHEX-2-ENONE
SpectraBase Compound ID Gx8Krwbo7KK
InChI InChI=1S/C20H16N4O3/c25-18-12-16(14-7-3-1-4-8-14)11-17(15-9-5-2-6-10-15)19(18)23-13-21-20(22-23)24(26)27/h1-10,12-13,17,19H,11H2/t17-,19-/m0/s1
InChIKey YEFOINVAAQTTLT-HKUYNNGSSA-N
Mol Weight 360.37 g/mol
Molecular Formula C20H16N4O3
Exact Mass 360.12224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kmsxv4vUX0T
Name TRANS-6-(3-NITRO-1,2,4-TRIAZOL-1-YL)-3,5-DIPHENYLCYCLOHEX-2-ENONE
Compound Number III-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16N4O3
InChI InChI=1S/C20H16N4O3/c25-18-12-16(14-7-3-1-4-8-14)11-17(15-9-5-2-6-10-15)19(18)23-13-21-20(22-23)24(26)27/h1-10,12-13,17,19H,11H2/t17-,19-/m0/s1
InChIKey YEFOINVAAQTTLT-HKUYNNGSSA-N
Literature Reference Author A.V.SAMET,V.V.KACHALA,V.V.SEMENOV
Literature Reference Citation CHEM.HET.COMP.,33,1471(1997)
Literature Reference DOI 10.1007/bf02291653
Molecular Weight 360.372 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ15091