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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 Hy0ISDq6eSN
Name Cycloheptanone
CAS Registry Number 502-42-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
InChIKey CGZZMOTZOONQIA-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference V. Machacek, V. Sterba, A. Lycka, J. Chem. Soc. Perkin II 355 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6