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S-METHYLISOPENTANTHIOATE
SpectraBase Compound ID 4wPOvaPI4IN
InChI InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKey MPLWTJZAFOVXKP-UHFFFAOYSA-N
Mol Weight 132.22 g/mol
Molecular Formula C6H12OS
Exact Mass 132.060886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWTXN93OslE
Name 3-METHYLTHIOBUTYRIC ACID, S-METHYL ESTER
Source of Sample G. Dauphin, A. Cuer Org. Magn. Resonance 12, 557(1979)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12OS
InChI InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKey MPLWTJZAFOVXKP-UHFFFAOYSA-N
Molecular Weight 132.23
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-60
Synonyms BUTYRIC ACID, 3-METHYLTHIO-, S-METHYL ESTER ISOVALERIC ACID, THIO-, S-METHYL ESTER