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Cycloheptanone

View entire compound with spectra: 137 NMR, 9 FTIR, 1 Raman, 14 MS (GC), and 2 Near IR

Cycloheptanone
SpectraBase Compound ID CSim3R6VmMi
InChI InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
InChIKey CGZZMOTZOONQIA-UHFFFAOYSA-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 BjIWYRmooIW
Name CYClOHEPTANONE
Compound Number 3A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
InChIKey CGZZMOTZOONQIA-UHFFFAOYSA-N
Literature Reference Author J.C.ZHUO
Literature Reference Citation MAGN.RES.CHEM.,35,717(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199711)35:10<717::aid-omr158>3.0.co;2-l
Molecular Weight 112.172 g/mol
Solvent CDCl3
Source File Reference UWCP4019