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trans-3-Octen-2-one

View entire compound with spectra: 7 NMR, 2 FTIR, and 10 MS (GC)

trans-3-Octen-2-one
SpectraBase Compound ID CTXa7WLVbgq
InChI InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey ZCFOBLITZWHNNC-VOTSOKGWSA-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 5ha2QfEgVzJ
Name trans-3-Octen-2-one
CAS Registry Number 18402-82-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey ZCFOBLITZWHNNC-VOTSOKGWSA-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