John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HBahzwFIUu9 SpectraBase Spectrum ID=29KSeDzWOwM

(accessed ).
DIETHYL-(1-PHENYL-THIO-2-CYANO-ETHYL)-PROPAN-DIOIC-ACID
SpectraBase Compound ID HBahzwFIUu9
InChI InChI=1S/C16H19NO4S/c1-3-20-15(18)14(16(19)21-4-2)13(10-11-17)22-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10H2,1-2H3
InChIKey FUCXFQIXBVVGIJ-UHFFFAOYSA-N
Mol Weight 321.39 g/mol
Molecular Formula C16H19NO4S
Exact Mass 321.10348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29KSeDzWOwM
Name DIETHYL-(1-PHENYL-THIO-2-CYANO-ETHYL)-PROPAN-DIOIC-ACID
Compound Number 9
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19NO4S
InChI InChI=1S/C16H19NO4S/c1-3-20-15(18)14(16(19)21-4-2)13(10-11-17)22-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10H2,1-2H3
InChIKey FUCXFQIXBVVGIJ-UHFFFAOYSA-N
Literature Reference Author P.STANETTY,M.KREMSLEHNER,H.VOELLENKLE
Literature Reference Citation MH.CHEM.,129,291(1998)
Literature Reference DOI 10.1007/s007060050050
Molecular Weight 321.391 g/mol
Solvent CDCl3
Source File Reference UWRU2077
SpectraBase Batch ID BGaDmlUVCSA