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7-(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YLOXY)-1-[(TRIFLUOROMETHYL)-SULFONYL]-2,3,4,5-TETRAHYDRO-1H-AZEPINE
SpectraBase Compound ID KPXndEdwUPj
InChI InChI=1S/C13H19F3N2O3S/c14-13(15,16)22(19,20)18-10-6-2-4-8-12(18)21-11-7-3-1-5-9-17-11/h8H,1-7,9-10H2
InChIKey LTIYXUUALNYWOD-UHFFFAOYSA-N
Mol Weight 340.36 g/mol
Molecular Formula C13H19F3N2O3S
Exact Mass 340.106848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZDoMFwZ131
Name 7-(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YLOXY)-1-[(TRIFLUOROMETHYL)-SULFONYL]-2,3,4,5-TETRAHYDRO-1H-AZEPINE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19F3N2O3S
InChI InChI=1S/C13H19F3N2O3S/c14-13(15,16)22(19,20)18-10-6-2-4-8-12(18)21-11-7-3-1-5-9-17-11/h8H,1-7,9-10H2
InChIKey LTIYXUUALNYWOD-UHFFFAOYSA-N
Literature Reference Author A.B.CHARETTE,S.MATHIEU,J.MARTEL
Literature Reference Citation ORG.LETTERS,7,5401(2005)
Literature Reference DOI 10.1021/ol052069n
Molecular Weight 340.361 g/mol
Sample ID 62862
Solvent CDCl3