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t-Butyl (2R,3R)-3-(2'-thioxopyrrolidin-1'-yl)-2-ethylhexanoate
SpectraBase Compound ID K7vfNNlBMv4
InChI InChI=1S/C16H29NO2S/c1-6-9-13(17-11-8-10-14(17)20)12(7-2)15(18)19-16(3,4)5/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1
InChIKey WCDDTCCCKKBDCZ-CHWSQXEVSA-N
Mol Weight 299.47 g/mol
Molecular Formula C16H29NO2S
Exact Mass 299.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9b89gw2aoiZ
Name t-Butyl (2R,3R)-3-(2'-thioxopyrrolidin-1'-yl)-2-ethylhexanoate
Alternate Name(s) (2R,3R)-tert-butyl 2-ethyl-3-(2-thioxopyrrolidin-1-yl)hexanoate (2R,3R)-2-ethyl-3-(2-sulfanylidene-1-pyrrolidinyl)hexanoic acid tert-butyl ester tert-Butyl (2R,3R)-2-ethyl-3-(2-thioxopyrrolidin-1-yl)hexanoate tert-Butyl (2R,3R)-2-ethyl-3-(2-sulfanylidenepyrrolidin-1-yl)hexanoate
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Formula C16H29NO2S
InChI InChI=1S/C16H29NO2S/c1-6-9-13(17-11-8-10-14(17)20)12(7-2)15(18)19-16(3,4)5/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1
InChIKey WCDDTCCCKKBDCZ-CHWSQXEVSA-N
Molecular Weight 299.473 g/mol
SMILES [C@@](N1C(=S)CCC1)([C@](C(OC(C)(C)C)=O)(CC)[H])(CCC)[H]
SPLASH splash10-0pba-2960000000-858c121859a94156e4bb
Source of Spectrum F5-3-842-19a
Wiley ID 1732182