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Butanethioic acid, S-3-hydroxy-2-octanamidoethyl ester
SpectraBase Compound ID 2i9VibaIl03
InChI InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-13(17)15-9-10-19-14(18)11-12(2)16/h12,16H,3-11H2,1-2H3,(H,15,17)
InChIKey CLRKXQDAEZOMOZ-UHFFFAOYSA-N
Mol Weight 289.43 g/mol
Molecular Formula C14H27NO3S
Exact Mass 289.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uDpog2cfEP
Name
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Formula C14H27NO3S
InChI InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-13(17)15-9-10-19-14(18)11-12(2)16/h12,16H,3-11H2,1-2H3,(H,15,17)
InChIKey CLRKXQDAEZOMOZ-UHFFFAOYSA-N
Molecular Weight 289.1705
SMILES N(C(CCCCCCC)=O)CCSC(CC(O)C)=O
SPLASH splash10-0006-9310000000-c36a4e5285d8f5b63360
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany