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4-(3'-METHYLENE-1'-BETA,6'-BETA-BICYCLO-[1.4.0]-HEPT-2'-ALPHA-YL)-BUTAN-2-ONE
SpectraBase Compound ID BGwMcUeshGo
InChI InChI=1S/C12H18O/c1-8-3-5-10-7-12(10)11(8)6-4-9(2)13/h10-12H,1,3-7H2,2H3/t10-,11-,12+/m1/s1
InChIKey NGJKGEGMICLZFW-UTUOFQBUSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPka1yaWdU7
Name 4-(3'-METHYLENE-1'-BETA,6'-BETA-BICYCLO-[1.4.0]-HEPT-2'-ALPHA-YL)-BUTAN-2-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-3-5-10-7-12(10)11(8)6-4-9(2)13/h10-12H,1,3-7H2,2H3/t10-,11-,12+/m1/s1
InChIKey NGJKGEGMICLZFW-UTUOFQBUSA-N
Literature Reference Author T.KOKIE,K.YAMAZAKI,N.FUKUMOTO,K.YASHIRO,N.TAKEUCHI,S.TOBINAG A
Literature Reference Citation CHEM.PHARM.BULL.,44,646(1996)
Literature Reference DOI 10.1248/cpb.44.646
Molecular Weight 178.274 g/mol
Solvent CDCl3
Source File Reference UWLU31404