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4-[[2-(1,3-dithian-2-yl)-2-keto-ethyl]amino]coumarin
SpectraBase Compound ID 2WwkGoBVcjI
InChI InChI=1S/C15H15NO3S2/c17-12(15-20-6-3-7-21-15)9-16-11-8-14(18)19-13-5-2-1-4-10(11)13/h1-2,4-5,8,15-16H,3,6-7,9H2
InChIKey WPADNLABIMFCQI-UHFFFAOYSA-N
Mol Weight 321.41 g/mol
Molecular Formula C15H15NO3S2
Exact Mass 321.049336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66U22F2ZJci
Name 4-[[2-(1,3-dithian-2-yl)-2-keto-ethyl]amino]coumarin
Alternate Name(s) 4-[[2-(1,3-dithian-2-yl)-2-oxidanylidene-ethyl]amino]chromen-2-one 4-[[2-(1,3-dithian-2-yl)-2-oxo-ethyl]amino]chromen-2-one 4-[[2-(1,3-dithian-2-yl)-2-oxoethyl]amino]-1-benzopyran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H15NO3S2
InChI InChI=1S/C15H15NO3S2/c17-12(15-20-6-3-7-21-15)9-16-11-8-14(18)19-13-5-2-1-4-10(11)13/h1-2,4-5,8,15-16H,3,6-7,9H2
InChIKey WPADNLABIMFCQI-UHFFFAOYSA-N
Molecular Weight 321.409 g/mol
SMILES N(C1=CC(=O)Oc2c1cccc2)CC(C1SCCCS1)=O
SPLASH splash10-03di-0901000000-65748d86fc221313db4d
Source of Spectrum F-55-13220-12
Wiley ID 839878