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4,9-DIMETHYL-9B-METHOXY-3,4,6A,9,9A,9B-HEXAHYDRO-PYRAZOLO-[3,4-H]-[1,4]-BENZOXAZIN-6(2H)-ONE
SpectraBase Compound ID EjSKXf1nf38
InChI InChI=1S/C12H17N3O3/c1-7-10-11(14-13-7)8(16)6-9-12(10,17-3)18-5-4-15(9)2/h6-7,10-11H,4-5H2,1-3H3/t7-,10+,11+,12-/m1/s1
InChIKey CJEYXEUJDHEFPW-GMEFYDFLSA-N
Mol Weight 251.29 g/mol
Molecular Formula C12H17N3O3
Exact Mass 251.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sIBj7toyw6
Name 4,9-DIMETHYL-9B-METHOXY-3,4,6A,9,9A,9B-HEXAHYDRO-PYRAZOLO-[3,4-H]-[1,4]-BENZOXAZIN-6(2H)-ONE
Compound Number 3A1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17N3O3
InChI InChI=1S/C12H17N3O3/c1-7-10-11(14-13-7)8(16)6-9-12(10,17-3)18-5-4-15(9)2/h6-7,10-11H,4-5H2,1-3H3/t7-,10+,11+,12-/m1/s1
InChIKey CJEYXEUJDHEFPW-GMEFYDFLSA-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 251.285 g/mol
Solvent DMSO-D6
Source File Reference UWFP313