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S-(3-((4-Oxohexan-2-yl)thio)propyl) butanethioate
SpectraBase Compound ID 3EcWqICeBsN
InChI InChI=1S/C13H24O2S2/c1-4-7-13(15)17-9-6-8-16-11(3)10-12(14)5-2/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKey YHZSWQASJCLPOE-LLVKDONJSA-N
Mol Weight 276.45 g/mol
Molecular Formula C13H24O2S2
Exact Mass 276.121772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lAumHmJsG
Name S-(3-((4-Oxohexan-2-yl)thio)propyl) butanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O2S2
InChI InChI=1S/C13H24O2S2/c1-4-7-13(15)17-9-6-8-16-11(3)10-12(14)5-2/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKey YHZSWQASJCLPOE-LLVKDONJSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 276.453 g/mol
Reported Formula C13H24O2S2
SMILES C(CC(SCCCS[C@@](CC(CC)=O)(C)[H])=O)C
SPLASH splash10-0a4i-9080000000-4401274b1191bd9941ab
Source of Spectrum BJO-14-SM37-7n
Thin-Layer Chromatography Rf = 0.53 (cyclohexane/ethyl acetate 4:1)
Wiley ID 1845815