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(REL)-(4S,4AR,8AR)-3-(1-BROMOETHYL)-4-(4-METHOXYPHENYL)-4A,5,6,7,8,8A-HEXAHYDRO-4H-1,2-BENZOXAZINE;MAJOR-ISOMER
SpectraBase Compound ID ETEXORqw9Xt
InChI InChI=1S/C17H22BrNO2/c1-11(18)17-16(12-7-9-13(20-2)10-8-12)14-5-3-4-6-15(14)21-19-17/h7-11,14-16H,3-6H2,1-2H3/t11?,14-,15+,16+/m0/s1
InChIKey GIPZTWJTJKOLIC-AGFRTNFISA-N
Mol Weight 352.27 g/mol
Molecular Formula C17H22BrNO2
Exact Mass 351.083392 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xCOezS5jTY
Name (REL)-(4S,4AR,8AR)-3-(1-BROMOETHYL)-4-(4-METHOXYPHENYL)-4A,5,6,7,8,8A-HEXAHYDRO-4H-1,2-BENZOXAZINE;MAJOR-ISOMER
Compound Number 1M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22BrNO2
InChI InChI=1S/C17H22BrNO2/c1-11(18)17-16(12-7-9-13(20-2)10-8-12)14-5-3-4-6-15(14)21-19-17/h7-11,14-16H,3-6H2,1-2H3/t11?,14-,15+,16+/m0/s1
InChIKey GIPZTWJTJKOLIC-AGFRTNFISA-N
Literature Reference Author A.Y.SUKHORUKOV,M.A.KAPATSYNA,T.L.T.YI,H.R.PARK,Y.A.NAUMOVICH ,P.A.ZHMUROV
Literature Reference Citation EUR.J.ORG.CHEM.,2014,8148(2014)
Literature Reference DOI 10.1002/ejoc.201403083
Molecular Weight 352.271 g/mol
Solvent CDCl3
Source File Reference UWIR20261