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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 H8aDa3nSZdr
Name Cycloheptanone
CAS Registry Number 502-42-1
Comments DEUTERIUM ISOTOPE EFFECTS ALSO RECORDED
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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 Bruker AM-400
Literature Reference S. Berger, B.W. Diehl, Magn. Res. Chem. 26, 327 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3