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(E)-3-[3-benzoxy-5-(methylthio)-2-thienyl]acrylic acid methyl ester
SpectraBase Compound ID LaNbkflnDTg
InChI InChI=1S/C16H16O3S2/c1-18-15(17)9-8-14-13(10-16(20-2)21-14)19-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b9-8+
InChIKey ZRCIITPMPXPIQH-CMDGGOBGSA-N
Mol Weight 320.42 g/mol
Molecular Formula C16H16O3S2
Exact Mass 320.054087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvHkQHHqkmW
Name (E)-3-[3-benzoxy-5-(methylthio)-2-thienyl]acrylic acid methyl ester
Alternate Name(s) (E)-3-[5-(methylthio)-3-phenylmethoxy-2-thiophenyl]-2-propenoic acid methyl ester Methyl (E)-3-(3-benzyloxy-5-methylsulfanyl-2-thienyl)prop-2-enoate Methyl (E)-3-(5-methylsulfanyl-3-phenylmethoxy-thiophen-2-yl)prop-2-enoate
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Formula C16H16O3S2
InChI InChI=1S/C16H16O3S2/c1-18-15(17)9-8-14-13(10-16(20-2)21-14)19-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b9-8+
InChIKey ZRCIITPMPXPIQH-CMDGGOBGSA-N
Molecular Weight 320.421 g/mol
SMILES c1c(sc(c1OCc1ccccc1)\C=C\C(=O)OC)SC
SPLASH splash10-006x-9025000000-83c6684d7005230b27be
Source of Spectrum KC-0-2492-54
Wiley ID 823195