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trans-2-Octen-4-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 3 MS (GC)

trans-2-Octen-4-one
SpectraBase Compound ID Aw6VaPdize6
InChI InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
InChIKey FMDLEUPBHMCPQV-GQCTYLIASA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmiakYE41Qu
Name trans-2-Octen-4-one
CAS Registry Number 22286-99-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
InChIKey FMDLEUPBHMCPQV-GQCTYLIASA-N
Instrument Name Bruker HX-90
Literature Reference W. Pritzkow, R. Radeglia, W. Schmidt-Renner, J. Prakt. Chem. 321, 813 (1979).
NMR Standard (CH3)6 Si2O
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3