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(Z)-3-(3,4-dimethoxyphenyl)-3-[3-(phenylthio)propylamino]-2-propenoic acid methyl ester
SpectraBase Compound ID 2FPf2OFIkVh
InChI InChI=1S/C21H25NO4S/c1-24-19-11-10-16(14-20(19)25-2)18(15-21(23)26-3)22-12-7-13-27-17-8-5-4-6-9-17/h4-6,8-11,14-15,22H,7,12-13H2,1-3H3/b18-15-
InChIKey QBUKTYGBEDKSNA-SDXDJHTJSA-N
Mol Weight 387.49 g/mol
Molecular Formula C21H25NO4S
Exact Mass 387.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPsI6vXoKIj
Name (Z)-3-(3,4-dimethoxyphenyl)-3-[3-(phenylthio)propylamino]-2-propenoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C21H25NO4S
InChI InChI=1S/C21H25NO4S/c1-24-19-11-10-16(14-20(19)25-2)18(15-21(23)26-3)22-12-7-13-27-17-8-5-4-6-9-17/h4-6,8-11,14-15,22H,7,12-13H2,1-3H3/b18-15-
InChIKey QBUKTYGBEDKSNA-SDXDJHTJSA-N
Molecular Weight 387.494 g/mol
SMILES N(\C(=C/C(=O)OC)c1cc(OC)c(cc1)OC)CCCSc1ccccc1
SPLASH splash10-00kr-0709000000-bd7a5316d3b23f193797
Source of Spectrum H1-48-1603-5
Synonyms (Z)-3-(3,4-dimethoxyphenyl)-3-[3-(phenylthio)propylamino]acrylic acid methyl ester methyl (Z)-3-(3,4-dimethoxyphenyl)-3-(3-phenylsulfanylpropylamino)prop-2-enoate
Wiley ID 816554