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7-CHLORO-HEXAHYDRO-1,1-DIMETHYL-3-OXO-9-PHENYL-1H,5H-PYRAZOLO-[1,2-A]-[1,2]-DIAZEPINE-5-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID DikSCzycT2n
InChI InChI=1S/C18H23ClN2O3/c1-18(2)11-16(22)20-15(17(23)24-3)10-13(19)9-14(21(18)20)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3
InChIKey WFALEVWEWYQPKS-UHFFFAOYSA-N
Mol Weight 350.85 g/mol
Molecular Formula C18H23ClN2O3
Exact Mass 350.13972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7tu4MpA4VY
Name 7-CHLORO-HEXAHYDRO-1,1-DIMETHYL-3-OXO-9-PHENYL-1H,5H-PYRAZOLO-[1,2-A]-[1,2]-DIAZEPINE-5-CARBOXYLIC-ACID-METHYLESTER
Compound Number 40
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23ClN2O3
InChI InChI=1S/C18H23ClN2O3/c1-18(2)11-16(22)20-15(17(23)24-3)10-13(19)9-14(21(18)20)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3
InChIKey WFALEVWEWYQPKS-UHFFFAOYSA-N
Literature Reference Author F.P.J.T.RUTJES,J.H.UDDING,H.HIEMSTRA,W.N.SPECKAMP
Literature Reference Citation REC.TR.CH.P.-B.,113,145(1994)
Literature Reference DOI 10.1002/recl.19941130304
Molecular Weight 350.845 g/mol
Solvent CDCl3
Source File Reference UWRK307