John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=12e5KW4BFbN SpectraBase Spectrum ID=BQre5wW8vDA

(accessed ).
NKZSEQAWVVNUOB-UHFFFAOYSA-N
SpectraBase Compound ID 12e5KW4BFbN
InChI InChI=1S/C9H12Cl3NO3/c10-9(11,12)7(14)13-8(15)16-6-4-2-1-3-5-6/h6H,1-5H2,(H,13,14,15)
InChIKey NKZSEQAWVVNUOB-UHFFFAOYSA-N
Mol Weight 288.56 g/mol
Molecular Formula C9H12Cl3NO3
Exact Mass 286.988277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQre5wW8vDA
Name NKZSEQAWVVNUOB-UHFFFAOYSA-N
Compound Number 1/8
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12Cl3NO3
InChI InChI=1S/C9H12Cl3NO3/c10-9(11,12)7(14)13-8(15)16-6-4-2-1-3-5-6/h6H,1-5H2,(H,13,14,15)
InChIKey NKZSEQAWVVNUOB-UHFFFAOYSA-N
Literature Reference Author A.K.BOSE,P.R.SRINIVASAN
Literature Reference Citation TETRAHEDRON,31,3025(1975)
Literature Reference DOI 10.1016/0040-4020(75)80141-4
Molecular Weight 288.558 g/mol
Solvent CDCl3
Source File Reference UWCS10163
SpectraBase Batch ID ARKROkRyiDa