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QSOLQDIOEJREPU-KVSKUHBBSA-N
SpectraBase Compound ID 3RI48mNClWK
InChI InChI=1S/C7H12O/c8-7-5-1-2-6(7)4-3-5/h5-8H,1-4H2/t5-,6+,7-
InChIKey QSOLQDIOEJREPU-KVSKUHBBSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NUGTB24byl
Name QSOLQDIOEJREPU-KVSKUHBBSA-N
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c8-7-5-1-2-6(7)4-3-5/h5-8H,1-4H2/t5-,6+,7-
InChIKey QSOLQDIOEJREPU-KVSKUHBBSA-N
Literature Reference Author P.R.SEIDL,K.Z.LEAL,V.E.U.COSTA,M.E.S.MOELLMANN
Literature Reference Citation MAGN.RES.CHEM.,31,241(1993)
Literature Reference DOI 10.1002/mrc.1260310306
Molecular Weight 112.172 g/mol
Solvent CDCl3
Source File Reference UWVP3657