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6,7-BENZOBICYCLO-[3.2.1]-OCTEN-2-ONE

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6,7-BENZOBICYCLO-[3.2.1]-OCTEN-2-ONE
SpectraBase Compound ID 2tiWEfeHEU4
InChI InChI=1S/C12H12O/c13-12-6-5-8-7-11(12)10-4-2-1-3-9(8)10/h1-4,8,11H,5-7H2/t8-,11+/m1/s1
InChIKey SQHHJTCSYZUHBU-KCJUWKMLSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 337ZlpSvRsf
Name 6,7-BENZOBICYCLO-[3.2.1]-OCTEN-2-ONE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c13-12-6-5-8-7-11(12)10-4-2-1-3-9(8)10/h1-4,8,11H,5-7H2/t8-,11+/m1/s1
InChIKey SQHHJTCSYZUHBU-KCJUWKMLSA-N
Literature Reference Author D.J.MUIR,J.B.STOTHERS
Literature Reference Citation CAN.J.CHEM.,71,1290(1993)
Literature Reference DOI 10.1139/v93-166
Molecular Weight 172.227 g/mol
Solvent CDCl3
Source File Reference UWVP5293