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(+)-(1S)-1-(4-BROMOPHENYL)-ETHYL-ISOCYANATE
SpectraBase Compound ID 4R3LLPoXskn
InChI InChI=1S/C9H8BrNO/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m1/s1
InChIKey AKVAGWOVWQDTAF-SSDOTTSWSA-N
Mol Weight 226.07 g/mol
Molecular Formula C9H8BrNO
Exact Mass 224.978927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8azsXPsMXwU
Name (+)-(1S)-1-(4-BROMOPHENYL)-ETHYL-ISOCYANATE
Compound Number 21
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8BrNO
InChI InChI=1S/C9H8BrNO/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m1/s1
InChIKey AKVAGWOVWQDTAF-SSDOTTSWSA-N
Literature Reference Author M.C.SCHOPOHL,A.FAUST,D.MIRK,R.FROEHLICH,O.KATAEVA,S.R.WALDVO GEL
Literature Reference Citation EUR.J.ORG.CHEM.,2987(2005)
Molecular Weight 226.073 g/mol
Sample ID 29777
Solvent CDCl3