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4-BENZYL-9B-METHOXY-3,4,6A,9,9A,9B-HEXAHYDRO-PYRAZOLO-[3,4-H]-[1,4]-BENZOXAZIN-6(2H)-ONE
SpectraBase Compound ID 1syqR0hlbRd
InChI InChI=1S/C17H19N3O3/c1-22-17-13-10-18-19-16(13)14(21)9-15(17)20(7-8-23-17)11-12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10-11H2,1H3/t13-,16+,17-/m0/s1
InChIKey BQBUDDWPUIDJQM-XKQJLSEDSA-N
Mol Weight 313.36 g/mol
Molecular Formula C17H19N3O3
Exact Mass 313.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ItKggyfK52S
Name 4-BENZYL-9B-METHOXY-3,4,6A,9,9A,9B-HEXAHYDRO-PYRAZOLO-[3,4-H]-[1,4]-BENZOXAZIN-6(2H)-ONE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19N3O3
InChI InChI=1S/C17H19N3O3/c1-22-17-13-10-18-19-16(13)14(21)9-15(17)20(7-8-23-17)11-12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10-11H2,1H3/t13-,16+,17-/m0/s1
InChIKey BQBUDDWPUIDJQM-XKQJLSEDSA-N
Literature Reference Author M.SCHUBERT-ZSILAVECZ,F.BELAJ,R.OTT
Literature Reference Citation MH.CHEM.,123,899(1992)
Literature Reference DOI 10.1007/BF00811545
Molecular Weight 313.356 g/mol
Solvent DMSO-D6
Source File Reference UWFP312