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Methyl 2-{[4'-oxo-2'-(phenylimino)]-3'-[1''-(methylethylidene)amino]-1',3'-thiazolan-5-ylidene}-acetate
SpectraBase Compound ID Gl5I2EjkU6g
InChI InChI=1S/C15H15N3O3S/c1-10(2)17-18-14(20)12(9-13(19)21-3)22-15(18)16-11-7-5-4-6-8-11/h4-9H,1-3H3/b12-9+,16-15-
InChIKey WUMNZUMFTWOMFE-KFGALDLDSA-N
Mol Weight 317.36 g/mol
Molecular Formula C15H15N3O3S
Exact Mass 317.083413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ExL8kuzKLh
Name Methyl 2-{[4'-oxo-2'-(phenylimino)]-3'-[1''-(methylethylidene)amino]-1',3'-thiazolan-5-ylidene}-acetate
Comments Computed using HOSE algorithm
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Exact Mass 317.083412526 u
Formula C15H15N3O3S
InChI InChI=1S/C15H15N3O3S/c1-10(2)17-18-14(20)12(9-13(19)21-3)22-15(18)16-11-7-5-4-6-8-11/h4-9H,1-3H3/b12-9+,16-15-
InChIKey WUMNZUMFTWOMFE-KFGALDLDSA-N
Molecular Weight 317.363 g/mol
SMILES C1(\C(S\C(N1N=C(C)C)=N\C=1C=CC=CC1)=C/C(=O)OC)=O