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3-(2-Sulfanylidene-1-pyrrolidinyl)octanoic acid ethyl ester
SpectraBase Compound ID CCy1ZhhmRIa
InChI InChI=1S/C14H25NO2S/c1-3-5-6-8-12(11-14(16)17-4-2)15-10-7-9-13(15)18/h12H,3-11H2,1-2H3
InChIKey QYYAJYRFBJPNFZ-UHFFFAOYSA-N
Mol Weight 271.42 g/mol
Molecular Formula C14H25NO2S
Exact Mass 271.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2knmU23zLk
Name 3-(2-Sulfanylidene-1-pyrrolidinyl)octanoic acid ethyl ester
Alternate Name(s) 3-(2-Thioxopyrrolidino)caprylic acid ethyl ester Ethyl 3-(2-sulfanylidenepyrrolidin-1-yl)octanoate Ethyl 3-(2-thioxopyrrolidin-1-yl)octanoate
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Formula C14H25NO2S
InChI InChI=1S/C14H25NO2S/c1-3-5-6-8-12(11-14(16)17-4-2)15-10-7-9-13(15)18/h12H,3-11H2,1-2H3
InChIKey QYYAJYRFBJPNFZ-UHFFFAOYSA-N
Molecular Weight 271.419 g/mol
SMILES C1(N(CCC1)C(CC(=O)OCC)CCCCC)=S
SPLASH splash10-0ufr-4900000000-bb1f75685015bbe42916
Source of Spectrum KC-0-1922-6
Wiley ID 831123