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1-ALPHA,6-ALPHA-6-(3,3-DIMETHYLBUT-1-YNYL)-3,3-DIMETHYL-5-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE
SpectraBase Compound ID CMN3ZIUo2Xk
InChI InChI=1S/C17H23NO/c1-15(2,3)6-7-17-12(8-13(17)11-18)9-16(4,5)10-14(17)19/h12-13H,8-10H2,1-5H3/t12-,13-,17+/m1/s1
InChIKey WAMALIYFMOJGFI-XNJGSVPQSA-N
Mol Weight 257.38 g/mol
Molecular Formula C17H23NO
Exact Mass 257.177964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HjQLJE2evl
Name 1-ALPHA,6-ALPHA-6-(3,3-DIMETHYLBUT-1-YNYL)-3,3-DIMETHYL-5-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23NO
InChI InChI=1S/C17H23NO/c1-15(2,3)6-7-17-12(8-13(17)11-18)9-16(4,5)10-14(17)19/h12-13H,8-10H2,1-5H3/t12-,13-,17+/m1/s1
InChIKey WAMALIYFMOJGFI-XNJGSVPQSA-N
Literature Reference Author L.MEYER,N.ALOUANE,K.SCHMIDT,P.MARGARETHA
Literature Reference Citation CAN.J.CHEM.,81,417(2003)
Literature Reference DOI 10.1139/v03-016
Molecular Weight 257.376 g/mol
Solvent CDCl3
Source File Reference UWLU30006