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GCYRRWZDEWSUAS-UHFFFAOYSA-N
SpectraBase Compound ID DTgzPcYbL6b
InChI InChI=1S/C14H17NO2/c1-10-8-11(2)13(16)14(12(3)9-10)17-7-5-4-6-15/h8-9H,4-5,7H2,1-3H3
InChIKey GCYRRWZDEWSUAS-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9HOzogpJPS
Name 4-(2,4,6-TRIMETHYL-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLOXY)-BUTANENITRILE
CAS Registry Number 118538-87-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-10-8-11(2)13(16)14(12(3)9-10)17-7-5-4-6-15/h8-9H,4-5,7H2,1-3H3
InChIKey GCYRRWZDEWSUAS-UHFFFAOYSA-N
Literature Reference Author K.HARTKE,W.F.RICHTER,W.MASSA,G.BAUM
Literature Reference Citation CHEM.BER.,122,657(1989)
Literature Reference DOI 10.1002/cber.19891220412
Molecular Weight 231.294 g/mol
Solvent CDCl3
Source File Reference UWGB1526