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3-Benzylthio-propanal diethyl acetal
SpectraBase Compound ID E5A1aYCyJmK
InChI InChI=1S/C14H22O2S/c1-3-15-14(16-4-2)10-11-17-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKey JHKVXFXCLOLIDI-UHFFFAOYSA-N
Mol Weight 254.39 g/mol
Molecular Formula C14H22O2S
Exact Mass 254.134051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtzFeWbEJ0X
Name 3-Benzylthio-propanal diethyl acetal
CAS Registry Number 32380-88-4
Comments REASSIGNED R.R. C9 IS CHANGED FROM 129.10 PPM TO 139.10 PPM (PRINTING ERROR ?)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H22O2S
InChI InChI=1S/C14H22O2S/c1-3-15-14(16-4-2)10-11-17-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKey JHKVXFXCLOLIDI-UHFFFAOYSA-N
Literature Reference J. Barluenga, J.R. Fernandez, C. Rubiera, J. Chem. Soc. Perkin I 3113 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4