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2-isonicotinoyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol

View entire compound with spectra: 2 NMR

2-isonicotinoyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol
SpectraBase Compound ID HMkWvFdAaYd
InChI InChI=1S/C14H14F3N3O2/c15-14(16,17)13(22)10-3-1-2-4-11(10)19-20(13)12(21)9-5-7-18-8-6-9/h5-8,10,22H,1-4H2
InChIKey KVAYBJVCIJYJHX-UHFFFAOYSA-N
Mol Weight 313.28 g/mol
Molecular Formula C14H14F3N3O2
Exact Mass 313.103811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Ilx7SFcBNh
Name 2-Isonicotinoyl-3-(trifluoromethyl)-3,3A,4,5,6,7-hexahydro-2H-indazol-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.103811190 u
Formula C14H14F3N3O2
InChI InChI=1S/C14H14F3N3O2/c15-14(16,17)13(22)10-3-1-2-4-11(10)19-20(13)12(21)9-5-7-18-8-6-9/h5-8,10,22H,1-4H2
InChIKey KVAYBJVCIJYJHX-UHFFFAOYSA-N
Molecular Weight 313.280 g/mol
SMILES OC1(N(N=C2CCCCC12)C(=O)C1=CC=NC=C1)C(F)(F)F