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N-[2,3-(anti)-3-Benzoyloxy-5-hexen-2-oxy]-2(1H)-thione
SpectraBase Compound ID 158VOe7F4uG
InChI InChI=1S/C18H19NO3S/c1-3-9-16(21-18(20)15-10-5-4-6-11-15)14(2)22-19-13-8-7-12-17(19)23/h3-8,10-14,16H,1,9H2,2H3
InChIKey QPSUEAHCTIWITN-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74nOfolMjJs
Name N-[2,3-(anti)-3-Benzoyloxy-5-hexen-2-oxy]-2(1H)-thione
Comments Less than 3 mono-isotopic peaks
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Formula C18H19NO3S
InChI InChI=1S/C18H19NO3S/c1-3-9-16(21-18(20)15-10-5-4-6-11-15)14(2)22-19-13-8-7-12-17(19)23/h3-8,10-14,16H,1,9H2,2H3
InChIKey QPSUEAHCTIWITN-UHFFFAOYSA-N
Molecular Weight 329.414 g/mol
SMILES C1(N(C=CC=C1)OC(C(OC(=O)c1ccccc1)CC=C)C)=S
SPLASH splash10-0a4i-3900000000-43770e4a2eee65f9e7aa
Source of Spectrum K1-2000-1682-0
Synonyms 1-{1-[(2-thioxo-1(2H)-pyridinyl)oxy]ethyl}-3-butenyl benzoate
Wiley ID 750094