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Methyl 3-methyl-4-phenylsulfonyl-heptanoate

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Methyl 3-methyl-4-phenylsulfonyl-heptanoate
SpectraBase Compound ID A5uqiCINUb4
InChI InChI=1S/C15H22O4S/c1-4-8-14(12(2)11-15(16)19-3)20(17,18)13-9-6-5-7-10-13/h5-7,9-10,12,14H,4,8,11H2,1-3H3
InChIKey FQJRDBFZZUBXDZ-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C15H22O4S
Exact Mass 298.12388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uP1btJXuw5
Name Methyl 3-methyl-4-phenylsulfonyl-heptanoate
CAS Registry Number 67886-64-0
Comments NICOLET TT-23 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H22O4S
InChI InChI=1S/C15H22O4S/c1-4-8-14(12(2)11-15(16)19-3)20(17,18)13-9-6-5-7-10-13/h5-7,9-10,12,14H,4,8,11H2,1-3H3
InChIKey FQJRDBFZZUBXDZ-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference P.A. Bartlett, F.R. Green, E.H.Rose, J. Am. Chem. Soc. 100, 4852 (1978).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3