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(4-Oxo-3-phenyl-4H-pyrimido[2,1-b]benzothiazole)-2-ethylsulfone

View entire compound with spectra: 1 MS (GC)

(4-Oxo-3-phenyl-4H-pyrimido[2,1-b]benzothiazole)-2-ethylsulfone
SpectraBase Compound ID KmUbdTQIFfo
InChI InChI=1S/C18H14N2O3S2/c1-2-25(22,23)16-15(12-8-4-3-5-9-12)17(21)20-13-10-6-7-11-14(13)24-18(20)19-16/h3-11H,2H2,1H3
InChIKey BWYXZKCITNUHEE-UHFFFAOYSA-N
Mol Weight 370.44 g/mol
Molecular Formula C18H14N2O3S2
Exact Mass 370.044585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VWVuJwmsQ8
Name (4-Oxo-3-phenyl-4H-pyrimido[2,1-b]benzothiazole)-2-ethylsulfone
Alternate Name(s) 2-(ethylsulfonyl)-3-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N2O3S2
InChI InChI=1S/C18H14N2O3S2/c1-2-25(22,23)16-15(12-8-4-3-5-9-12)17(21)20-13-10-6-7-11-14(13)24-18(20)19-16/h3-11H,2H2,1H3
InChIKey BWYXZKCITNUHEE-UHFFFAOYSA-N
Molecular Weight 370.441 g/mol
SMILES C=1(N=C2Sc3ccccc3N2C(C1c1ccccc1)=O)S(=O)(=O)CC
SPLASH splash10-00di-1096000000-62780fb3f4ac2a583172
Source of Spectrum AH-127-1280-5
Wiley ID 1354103