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(REL)-(4S,4AR,5R,8S,8AR)-3-(BROMOMETHYL)-4-PHENYL-4A,5,6,7,8,8A-HEXAHYDRO-4H-5,8-METHANO-1,2-BENZOXAZINE
SpectraBase Compound ID 5RFEhiLoTMS
InChI InChI=1S/C16H18BrNO/c17-9-13-14(10-4-2-1-3-5-10)15-11-6-7-12(8-11)16(15)19-18-13/h1-5,11-12,14-16H,6-9H2/t11-,12+,14+,15-,16-/m1/s1
InChIKey XOCYOMTWSHPUJN-XVLPMQGWSA-N
Mol Weight 320.23 g/mol
Molecular Formula C16H18BrNO
Exact Mass 319.057177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G48XM8eAAO3
Name (REL)-(4S,4AR,5R,8S,8AR)-3-(BROMOMETHYL)-4-PHENYL-4A,5,6,7,8,8A-HEXAHYDRO-4H-5,8-METHANO-1,2-BENZOXAZINE
Compound Number 1L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18BrNO
InChI InChI=1S/C16H18BrNO/c17-9-13-14(10-4-2-1-3-5-10)15-11-6-7-12(8-11)16(15)19-18-13/h1-5,11-12,14-16H,6-9H2/t11-,12+,14+,15-,16-/m1/s1
InChIKey XOCYOMTWSHPUJN-XVLPMQGWSA-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 320.229 g/mol
Solvent CDCl3
Source File Reference UWIR20260