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2-METHYLSORBINIL
SpectraBase Compound ID EaYbpVbClCG
InChI InChI=1S/C12H11FN2O3/c1-6-5-12(10(16)14-11(17)15-12)8-4-7(13)2-3-9(8)18-6/h2-4,6H,5H2,1H3,(H2,14,15,16,17)/t6-,12+/m1/s1
InChIKey SEAQTHCVAGBRFY-INWYIAFRSA-N
Mol Weight 250.23 g/mol
Molecular Formula C12H11FN2O3
Exact Mass 250.07537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kn5YmB9I5sb
Name 2-METHYLSORBINIL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11FN2O3
InChI InChI=1S/C12H11FN2O3/c1-6-5-12(10(16)14-11(17)15-12)8-4-7(13)2-3-9(8)18-6/h2-4,6H,5H2,1H3,(H2,14,15,16,17)/t6-,12+/m1/s1
InChIKey SEAQTHCVAGBRFY-INWYIAFRSA-N
Literature Reference Author M.WANG,M.K.MISHRA,W.ZHU,P.F.KADOR
Literature Reference Citation MAGN.RES.CHEM.,43,1008(2005)
Literature Reference DOI 10.1002/mrc.1697
Molecular Weight 250.229 g/mol
Solvent DMSO-D6
Source File Reference UWLU36498