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(Z)-Methyl 2-{(Z)-2-[(E)-(2-methylbutylidene)hydrazono]-4-oxo-3-phenylthiazolidin-5-ylidene}acetate
SpectraBase Compound ID yF91XCWWmJ
InChI InChI=1S/C17H19N3O3S/c1-4-12(2)11-18-19-17-20(13-8-6-5-7-9-13)16(22)14(24-17)10-15(21)23-3/h5-12H,4H2,1-3H3/b14-10-,18-11+,19-17-
InChIKey JGYIUAMJSGLSEF-QVQZBCKESA-N
Mol Weight 345.42 g/mol
Molecular Formula C17H19N3O3S
Exact Mass 345.114713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGu6hONtfl5
Name (Z)-Methyl 2-{(Z)-2-[(E)-(2-methylbutylidene)hydrazono]-4-oxo-3-phenylthiazolidin-5-ylidene}acetate
Comments Computed using HOSE algorithm
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Exact Mass 345.114712655 u
Formula C17H19N3O3S
InChI InChI=1S/C17H19N3O3S/c1-4-12(2)11-18-19-17-20(13-8-6-5-7-9-13)16(22)14(24-17)10-15(21)23-3/h5-12H,4H2,1-3H3/b14-10-,18-11+,19-17-
InChIKey JGYIUAMJSGLSEF-QVQZBCKESA-N
Molecular Weight 345.417 g/mol
SMILES C1(\C(S\C(N1C=1C=CC=CC1)=N\N=C\C(CC)C)=C\C(=O)OC)=O