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(Z)-2,6,6-Trimethyl-5-methylthio-hept-4-en-3-one
SpectraBase Compound ID 5vzb5kAPGJh
InChI InChI=1S/C11H20OS/c1-8(2)9(12)7-10(13-6)11(3,4)5/h7-8H,1-6H3/b10-7-
InChIKey VMVLZVFCWHENAG-YFHOEESVSA-N
Mol Weight 200.34 g/mol
Molecular Formula C11H20OS
Exact Mass 200.123486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eAG8zVywwX
Name (Z)-2,6,6-Trimethyl-5-methylthio-hept-4-en-3-one
CAS Registry Number 96899-32-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H20OS
InChI InChI=1S/C11H20OS/c1-8(2)9(12)7-10(13-6)11(3,4)5/h7-8H,1-6H3/b10-7-
InChIKey VMVLZVFCWHENAG-YFHOEESVSA-N
Instrument Name Jeol FX-90
Literature Reference R.K. Dieter, L.A. Silks, J.R. Fishpaugh, J. Am. Chem. Soc. 107, 4679 (1985).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3