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2-Benzothiazyl 2-morpholino-4-methyl-5-thiazolyl sulfide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Benzothiazyl 2-morpholino-4-methyl-5-thiazolyl sulfide
SpectraBase Compound ID GJTGTKUn8OX
InChI InChI=1S/C20H17N3OS3/c1-2-6-14(7-3-1)17-18(26-19(22-17)23-10-12-24-13-11-23)27-20-21-15-8-4-5-9-16(15)25-20/h1-9H,10-13H2
InChIKey IJWDTYVEISPXQY-UHFFFAOYSA-N
Mol Weight 411.56 g/mol
Molecular Formula C20H17N3OS3
Exact Mass 411.053376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PmYfE1lERh
Name 2-Benzothiazyl 2-morpholino-4-methyl-5-thiazolyl sulfide
Comments Computed using HOSE algorithm
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Exact Mass 411.053375700 u
Formula C20H17N3OS3
InChI InChI=1S/C20H17N3OS3/c1-2-6-14(7-3-1)17-18(26-19(22-17)23-10-12-24-13-11-23)27-20-21-15-8-4-5-9-16(15)25-20/h1-9H,10-13H2
InChIKey IJWDTYVEISPXQY-UHFFFAOYSA-N
Molecular Weight 411.556 g/mol
SMILES C=1(SC(N2CCOCC2)=NC1C1=CC=CC=C1)SC1=NC2=CC=CC=C2S1