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4-BENZYL-9-METHYL-9B-METHOXY-3,4,6A,9,9A,9B-HEXAHYDRO-PYRAZOLO-[3,4-H]-[1,4]-BENZOXAZIN-6(2H)-ONE
SpectraBase Compound ID 49cmtD931CI
InChI InChI=1S/C18H21N3O3/c1-12-16-17(20-19-12)14(22)10-15-18(16,23-2)24-9-8-21(15)11-13-6-4-3-5-7-13/h3-7,10,12,16-17H,8-9,11H2,1-2H3/t12-,16+,17+,18-/m1/s1
InChIKey XJPSEGLAVXWXEP-PBZHRCKQSA-N
Mol Weight 327.38 g/mol
Molecular Formula C18H21N3O3
Exact Mass 327.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6I0I74hcpQX
Name 4-BENZYL-9-METHYL-9B-METHOXY-3,4,6A,9,9A,9B-HEXAHYDRO-PYRAZOLO-[3,4-H]-[1,4]-BENZOXAZIN-6(2H)-ONE
Compound Number 3D1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21N3O3
InChI InChI=1S/C18H21N3O3/c1-12-16-17(20-19-12)14(22)10-15-18(16,23-2)24-9-8-21(15)11-13-6-4-3-5-7-13/h3-7,10,12,16-17H,8-9,11H2,1-2H3/t12-,16+,17+,18-/m1/s1
InChIKey XJPSEGLAVXWXEP-PBZHRCKQSA-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 327.383 g/mol
Solvent DMSO-D6
Source File Reference UWFP316