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tert-Butyl 4-(13C-methylthio)-2-oxobutanoate
SpectraBase Compound ID 7NWHfJMOvKj
InChI InChI=1S/C9H16O3S/c1-9(2,3)12-8(11)7(10)5-6-13-4/h5-6H2,1-4H3/i4+1
InChIKey NPTCOMSWDIIPSD-AZXPZELESA-N
Mol Weight 205.28 g/mol
Molecular Formula C813CH16O3S
Exact Mass 205.08537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D73S2TslJXF
Name tert-Butyl 4-(13C-methylthio)-2-oxobutanoate
Comments Original formula: C8[13C]H16O3S
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3S
InChI InChI=1S/C9H16O3S/c1-9(2,3)12-8(11)7(10)5-6-13-4/h5-6H2,1-4H3/i4+1
InChIKey NPTCOMSWDIIPSD-AZXPZELESA-N
Literature Reference DOI 10.1002/cbic.200600551
Molecular Weight 205.276 g/mol
SMILES [13CH3]SCCC(=O)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9100000000-519b1dc913507c0a0579
Source of Spectrum CBC-8-610/SM6-8
Synonyms tert-Butyl 4-((methyl-¹³C)thio)-2-oxobutanoate
Wiley ID 1788810