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1-[2'-(Benzo[d]-(1,3)-dioxol-5''-yl)vinyl]-6-methyl-4-(methylthio)-ethanone
SpectraBase Compound ID 4w4w29PFaOi
InChI InChI=1S/C17H16N2O3S/c1-10-16(11(2)20)17(23-3)19-15(18-10)7-5-12-4-6-13-14(8-12)22-9-21-13/h4-8H,9H2,1-3H3/b7-5+
InChIKey WPIIEMLROFLZNK-FNORWQNLSA-N
Mol Weight 328.39 g/mol
Molecular Formula C17H16N2O3S
Exact Mass 328.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8z7a8sPSEZj
Name 1-[2'-(Benzo[d]-(1,3)-dioxol-5''-yl)vinyl]-6-methyl-4-(methylthio)-ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C17H16N2O3S
InChI InChI=1S/C17H16N2O3S/c1-10-16(11(2)20)17(23-3)19-15(18-10)7-5-12-4-6-13-14(8-12)22-9-21-13/h4-8H,9H2,1-3H3/b7-5+
InChIKey WPIIEMLROFLZNK-FNORWQNLSA-N
Molecular Weight 328.386 g/mol
SMILES c1(c(c(nc(n1)\C=C\c1cc2OCOc2cc1)C)C(=O)C)SC
SPLASH splash10-0002-0900000000-aa776ffd9971731867f5
Source of Spectrum AH-139-583-5
Synonyms 1-[2-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-4-methyl-6-methylsulfanyl-pyrimidin-5-yl]-ethanone
Wiley ID 1695671