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Phenylisocyanate
SpectraBase Compound ID ENiGpwCrwyb
InChI InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey DGTNSSLYPYDJGL-UHFFFAOYSA-N
Mol Weight 119.12 g/mol
Molecular Formula C7H5NO
Exact Mass 119.037114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0SJvwOMagC
Name BENZOISOCYANATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5NO
InChI InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey DGTNSSLYPYDJGL-UHFFFAOYSA-N
Literature Reference Author D.G.DEKOWALEWSKI,V.J.KOWALEWSKI,E.BOTEK,R.H.CONTRERAS,J.C.FA CELLI
Literature Reference Citation MAGN.RES.CHEM.,35,351(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199706)35:6<351::aid-omr6>3.3.co;2-k
Molecular Weight 119.123 g/mol
Solvent CD3CN
Source File Reference UWCP4745