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Ethyl 2-(benzo[b]thiophen-3-yl)-2-(S,S-methylphenylsulfoximidoyl)acetate
SpectraBase Compound ID CBTOJw0DkDT
InChI InChI=1S/C19H19NO3S2/c1-3-23-19(21)18(16-13-24-17-12-8-7-11-15(16)17)20-25(2,22)14-9-5-4-6-10-14/h4-13,18H,3H2,1-2H3
InChIKey NKHQQVHVQCOTDK-UHFFFAOYSA-N
Mol Weight 373.49 g/mol
Molecular Formula C19H19NO3S2
Exact Mass 373.080636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRbY2m2fWsp
Name Ethyl 2-(benzo[b]thiophen-3-yl)-2-(S,S-methylphenylsulfoximidoyl)acetate
Appearance Yellow viscous oil
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Exact Mass 373.080635821 u
Formula C19H19NO3S2
InChI InChI=1S/C19H19NO3S2/c1-3-23-19(21)18(16-13-24-17-12-8-7-11-15(16)17)20-25(2,22)14-9-5-4-6-10-14/h4-13,18H,3H2,1-2H3
InChIKey NKHQQVHVQCOTDK-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801660
Molecular Weight 373.485 g/mol
Quality 148
Reported Formula C19H19NO3S2
SMILES C1(C(C(=O)OCC)N=S(C2=CC=CC=C2)(C)=O)=CSC2=C1C=CC=C2
SPLASH splash10-0ufu-2904000000-59d2248095705a17b6ea
Sample Comments dr = 1:1
Source of Spectrum ACI-57-SM12-4h (DOI: 10.1002/anie.201801660)
Wiley ID 1890905