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4-(2-HYDROXYETHYL)-9B-METHOXY-3,4,6A,9,9A,9B-HEXAHYDRO-PYRAZOLO-[3,4-H]-[1,4]-BENZOXAZIN-6(2H)-ONE
SpectraBase Compound ID 5s6ESIh1Uz2
InChI InChI=1S/C12H17N3O4/c1-18-12-8-7-13-14-11(8)9(17)6-10(12)15(2-4-16)3-5-19-12/h6,8,11,16H,2-5,7H2,1H3/t8-,11+,12-/m0/s1
InChIKey HONVEIXRAGRIRX-AXTRIDKLSA-N
Mol Weight 267.28 g/mol
Molecular Formula C12H17N3O4
Exact Mass 267.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kx77XNwJj4L
Name 4-(2-HYDROXYETHYL)-9B-METHOXY-3,4,6A,9,9A,9B-HEXAHYDRO-PYRAZOLO-[3,4-H]-[1,4]-BENZOXAZIN-6(2H)-ONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17N3O4
InChI InChI=1S/C12H17N3O4/c1-18-12-8-7-13-14-11(8)9(17)6-10(12)15(2-4-16)3-5-19-12/h6,8,11,16H,2-5,7H2,1H3/t8-,11+,12-/m0/s1
InChIKey HONVEIXRAGRIRX-AXTRIDKLSA-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 267.285 g/mol
Solvent DMSO-D6
Source File Reference UWFP311