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Methyl (E)-2-[[(3-methoxybenzoyl)methyl]-2-(4-cyanophenyl)]vinyl sulfide
SpectraBase Compound ID 8bDTlecb766
InChI InChI=1S/C19H19NO2S/c1-21-19-5-3-4-16(10-19)12-22-13-18(14-23-2)17-8-6-15(11-20)7-9-17/h3-10,14H,12-13H2,1-2H3/b18-14+
InChIKey NQMLHVCVFJBFGJ-NBVRZTHBSA-N
Mol Weight 325.43 g/mol
Molecular Formula C19H19NO2S
Exact Mass 325.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArEpX408ytR
Name Methyl (E)-2-[[(3-methoxybenzoyl)methyl]-2-(4-cyanophenyl)]vinyl sulfide
Comments Less than 3 mono-isotopic peaks
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Formula C19H19NO2S
InChI InChI=1S/C19H19NO2S/c1-21-19-5-3-4-16(10-19)12-22-13-18(14-23-2)17-8-6-15(11-20)7-9-17/h3-10,14H,12-13H2,1-2H3/b18-14+
InChIKey NQMLHVCVFJBFGJ-NBVRZTHBSA-N
Molecular Weight 325.426 g/mol
SMILES c1(\C(=C\SC)COCc2cc(OC)ccc2)ccc(C#N)cc1
SPLASH splash10-00di-0901000000-3d882448572de3495839
Source of Spectrum J-63-541-9
Synonyms Methyl (E)-2-[[(3-methoxybenzyloxyl)methyl]-2-(4-cyanophenyl)]vinyl sulfide
Wiley ID 1324018