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(3S,7S)-7-FLUORO-1-IMINO-3-[(1S)-1-METHYLPROPYL]-HEXAHYDRO-PYRROLO-[1,2-A]-PYRAZIN-4(1H)-ONE-ACETIC-ACID-SALT
SpectraBase Compound ID KRHJyO0UwaZ
InChI InChI=1S/C11H18FN3O.C2H4O2/c1-3-6(2)9-11(16)15-5-7(12)4-8(15)10(13)14-9;1-2(3)4/h6-9H,3-5H2,1-2H3,(H2,13,14);1H3,(H,3,4)/t6?,7-,8-,9-;/m0./s1
InChIKey GLIYETBJZMGRTL-OBGBJPOESA-N
Mol Weight 287.34 g/mol
Molecular Formula C13H22FN3O3
Exact Mass 287.16452 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17yUM8PkPie
Name (3S,7S)-7-FLUORO-1-IMINO-3-[(1S)-1-METHYLPROPYL]-HEXAHYDRO-PYRROLO-[1,2-A]-PYRAZIN-4(1H)-ONE-ACETIC-ACID-SALT
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22FN3O3
InChI InChI=1S/C11H18FN3O.C2H4O2/c1-3-6(2)9-11(16)15-5-7(12)4-8(15)10(13)14-9;1-2(3)4/h6-9H,3-5H2,1-2H3,(H2,13,14);1H3,(H,3,4)/t6?,7-,8-,9-;/m0./s1
InChIKey GLIYETBJZMGRTL-OBGBJPOESA-N
Literature Reference Author H.FUKUSHIMA,A.HIRATATE,M.TAKAHASHI,M.SAITO-HORI,E.MUNETOMO,K .KITANO,H.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,56,1110(2008)
Literature Reference DOI 10.1248/cpb.56.1110
Solvent DMSO-D6
Source File Reference UWIR2032