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(1-C-13,N-15)-4-[(2R,5S)-2,5-DIHYDRO-2-ISOPROPYL-3,6-DIMETHOXY-5-PYRAZINYL]-BUTYRONITRILE
SpectraBase Compound ID IUDai9D4Jbv
InChI InChI=1S/C13H21N3O2/c1-9(2)11-13(18-4)15-10(7-5-6-8-14)12(16-11)17-3/h9-11H,5-7H2,1-4H3/t10-,11+/m0/s1/i8+1,14+1
InChIKey UXJULFKPBKVWNF-XJOHXHQASA-N
Mol Weight 253.32 g/mol
Molecular Formula C1213CH21N215NO2
Exact Mass 253.163767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qFaJLmzei1
Name (1-C-13,N-15)-4-[(2R,5S)-2,5-DIHYDRO-2-ISOPROPYL-3,6-DIMETHOXY-5-PYRAZINYL]-BUTYRONITRILE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1213CH21N215NO2
InChI InChI=1S/C13H21N3O2/c1-9(2)11-13(18-4)15-10(7-5-6-8-14)12(16-11)17-3/h9-11H,5-7H2,1-4H3/t10-,11+/m0/s1/i8+1,14+1
InChIKey UXJULFKPBKVWNF-XJOHXHQASA-N
Literature Reference Author J.RAAP,C.M.VANDERWIELEN,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,109,277(1990)
Literature Reference DOI 10.1002/recl.19901090404
Molecular Weight 253.314 g/mol
Solvent CDCl3
Source File Reference UWRK753