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Methyl 3-{4-[2-((E)-prop-2-en-1-yl)-1,3-dithian-2-yl]-butanoylamino}-benzoate
SpectraBase Compound ID 6zfGzyMPHwt
InChI InChI=1S/C19H25NO3S2/c1-3-10-19(24-12-6-13-25-19)11-5-9-17(21)20-16-8-4-7-15(14-16)18(22)23-2/h3-4,7-8,14H,1,5-6,9-13H2,2H3,(H,20,21)
InChIKey FBHBRFYPIDNMKN-UHFFFAOYSA-N
Mol Weight 379.53 g/mol
Molecular Formula C19H25NO3S2
Exact Mass 379.127586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzpLL3Jp96o
Name Methyl 3-{4-[2-((E)-prop-2-en-1-yl)-1,3-dithian-2-yl]-butanoylamino}-benzoate
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Formula C19H25NO3S2
InChI InChI=1S/C19H25NO3S2/c1-3-10-19(24-12-6-13-25-19)11-5-9-17(21)20-16-8-4-7-15(14-16)18(22)23-2/h3-4,7-8,14H,1,5-6,9-13H2,2H3,(H,20,21)
InChIKey FBHBRFYPIDNMKN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100455
Molecular Weight 379.533 g/mol
SMILES N(C(CCCC1(SCCCS1)CC=C)=O)c1cc(C(=O)OC)ccc1
SPLASH splash10-0a4i-6449000000-76c21cec8718da71d808
Source of Spectrum APC-345-661-6d
Synonyms Methyl 3-(4-(2-allyl-1,3-dithian-2-yl)butanamido)benzoate
Wiley ID 1769411