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3-Methyl-cis, cis,cis-2,5,8-cyclononatrienone
SpectraBase Compound ID ITTPzLSJSF4
InChI InChI=1S/C10H12O/c1-9-6-4-2-3-5-7-10(11)8-9/h2-5,8H,6-7H2,1H3/b4-2-,5-3-,9-8?
InChIKey WLAIQJRVPIEJCS-OGPNSGGCSA-N
Mol Weight 148.2 g/mol
Molecular Formula C10H12O
Exact Mass 148.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Y0nT0G0HRK
Name 3-Methyl-cis, cis,cis-2,5,8-cyclononatrienone
CAS Registry Number 80534-46-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12O
InChI InChI=1S/C10H12O/c1-9-6-4-2-3-5-7-10(11)8-9/h2-5,8H,6-7H2,1H3/b4-2-,5-3-,9-8?
InChIKey WLAIQJRVPIEJCS-OGPNSGGCSA-N
Instrument Name Bruker WP-80
Literature Reference L.A. Paquette, G.D. Crouse, A.K.Sharma, J. Am. Chem. Soc. 104, 4411 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3