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5-Methyl-cis, cis,cis-2,4,7-cyclononatrienone
SpectraBase Compound ID 9D3e0DsEp6X
InChI InChI=1S/C10H12O/c1-9-5-2-3-7-10(11)8-4-6-9/h2-4,6,8H,5,7H2,1H3/b3-2-,8-4?,9-6-
InChIKey GRRHIOZTDNVEGX-UBGKPKKYSA-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 8gReZ2rYZjZ
Name 5-Methyl-cis, cis,cis-2,4,7-cyclononatrienone
CAS Registry Number 80534-45-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12O
InChI InChI=1S/C10H12O/c1-9-5-2-3-7-10(11)8-4-6-9/h2-4,6,8H,5,7H2,1H3/b3-2-,8-4?,9-6-
InChIKey GRRHIOZTDNVEGX-UBGKPKKYSA-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