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4-(2,4-dihydro-1H-3,1-benzoxazin-2-yl)benzonitrile

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4-(2,4-dihydro-1H-3,1-benzoxazin-2-yl)benzonitrile
SpectraBase Compound ID GnENzy2lxOp
InChI InChI=1S/C15H12N2O/c16-9-11-5-7-12(8-6-11)15-17-14-4-2-1-3-13(14)10-18-15/h1-8,15,17H,10H2
InChIKey XHZPMCJNPFUIOI-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C15H12N2O
Exact Mass 236.094963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Af7AB4xge8j
Name 4-(2,4-dihydro-1H-3,1-benzoxazin-2-yl)benzonitrile
Compound Number 1BB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12N2O
InChI InChI=1S/C15H12N2O/c16-9-11-5-7-12(8-6-11)15-17-14-4-2-1-3-13(14)10-18-15/h1-8,15,17H,10H2
InChIKey XHZPMCJNPFUIOI-UHFFFAOYSA-N
Literature Reference Author K.NEUVONEN,F.FUELOEP,H.NEUVONEN,A.KOCH,E.KLEINPETER,K.PIHLAJ A
Literature Reference Citation J.ORG.CHEM.,66,4132(2001)
Literature Reference DOI 10.1021/jo001114w
Molecular Weight 236.273 g/mol
Solvent DMSO-D6;0.2M
Source File Reference UWMS27400