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DHNUIJYRJBEZJM-JEDNCBNOSA-N

Compound with spectra: 1 NMR

DHNUIJYRJBEZJM-JEDNCBNOSA-N
SpectraBase Compound ID GstOeRZvbyH
InChI InChI=1S/C6H9NO2.C6H12S3/c1-5(3-4-7)9-6(2)8;1-2-8-5-6-9-4-3-7-1/h5H,3H2,1-2H3;1-6H2/t5-;/m0./s1
InChIKey DHNUIJYRJBEZJM-JEDNCBNOSA-N
Mol Weight 307.48 g/mol
Molecular Formula C12H21NO2S3
Exact Mass 307.073442 g/mol
Enantiomer InChIKey DHNUIJYRJBEZJM-NUBCRITNSA-N
Racemate InChIKey DHNUIJYRJBEZJM-UHFFFAOYSA-N

View Spectrum of DHNUIJYRJBEZJM-JEDNCBNOSA-N

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3;2-EQUIVALENTS-CROWN-ETHER
(S)-2-CYANO-1-METHYLETHYL-ACETATE
BYZWKRRFUNTENX-ZSCHJXSPSA-N
AGSWFPDAKLUVNX-QDXATWJZSA-N
1-Methylbut-3-ynyl acetate
1,3-dicyanopropan-2-yl acetate
Acetic acid sec-butyl ester
2-Pentanol, acetate
4-PENTEN-2-OL, ACETATE
1-Methyl-2-sulfanylethyl acetate
ESSIGSAEURE-1-METHYL-PENTYLESTER
Title Journal or Book Year
Crown Ethers as Regulators of Enzymatic Reactions:  Enhanced Reaction Rate and Enantioselectivity in Lipase-Catalyzed Hydrolysis of 2-Cyano-1-methylethyl Acetate The Journal of Organic Chemistry 1996

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