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1-ALPHA,6-ALPHA-3,3,6-TRIMETHYL-5-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE
SpectraBase Compound ID HoPNA0t95n6
InChI InChI=1S/C12H17NO/c1-11(2)5-8-4-9(7-13)12(8,3)10(14)6-11/h8-9H,4-6H2,1-3H3/t8-,9-,12+/m1/s1
InChIKey XPAKYIMCQUIKHG-LNLATYFQSA-N
Mol Weight 191.27 g/mol
Molecular Formula C12H17NO
Exact Mass 191.131014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsvMh6MeJYA
Name 1-ALPHA,6-ALPHA-3,3,6-TRIMETHYL-5-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17NO
InChI InChI=1S/C12H17NO/c1-11(2)5-8-4-9(7-13)12(8,3)10(14)6-11/h8-9H,4-6H2,1-3H3/t8-,9-,12+/m1/s1
InChIKey XPAKYIMCQUIKHG-LNLATYFQSA-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 191.273 g/mol
Solvent C6D6
Source File Reference UWLU30000