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(3R)-3-(2-sulfanylidene-1-pyrrolidinyl)octanoic acid tert-butyl ester
SpectraBase Compound ID 2aVvtALdi0T
InChI InChI=1S/C16H29NO2S/c1-5-6-7-9-13(17-11-8-10-14(17)20)12-15(18)19-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
InChIKey YWCBXDREEMLDLF-CYBMUJFWSA-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 6zZGUX39rL1
Name (3R)-3-(2-sulfanylidene-1-pyrrolidinyl)octanoic acid tert-butyl ester
Alternate Name(s) (3R)-3-(2-thioxopyrrolidino)caprylic acid tert-butyl ester tert-Butyl (3R)-3-(2-sulfanylidenepyrrolidin-1-yl)octanoate tert-Butyl (3R)-3-(2-thioxopyrrolidin-1-yl)octanoate
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Formula C16H29NO2S
InChI InChI=1S/C16H29NO2S/c1-5-6-7-9-13(17-11-8-10-14(17)20)12-15(18)19-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
InChIKey YWCBXDREEMLDLF-CYBMUJFWSA-N
Molecular Weight 299.473 g/mol
SMILES C1(N(CCC1)[C@@](CC(OC(C)(C)C)=O)(CCCCC)[H])=S
SPLASH splash10-0gvo-3490000000-aecd6005e65358f71b16
Source of Spectrum KC-0-1926-31
Wiley ID 831107