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(Z)-Methyl 2-{(Z)-2-[(E)-(2-methylpropylidene)hydrazono]-4-oxo-3-phenylthiazolidin-5-ylidene}acetate
SpectraBase Compound ID F1IlFvIWd7I
InChI InChI=1S/C16H17N3O3S/c1-11(2)10-17-18-16-19(12-7-5-4-6-8-12)15(21)13(23-16)9-14(20)22-3/h4-11H,1-3H3/b13-9-,17-10+,18-16-
InChIKey AXXZUPWXUFCDQR-GPCFRMRMSA-N
Mol Weight 331.39 g/mol
Molecular Formula C16H17N3O3S
Exact Mass 331.099063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fk4WSHJfO1j
Name (Z)-Methyl 2-{(Z)-2-[(E)-(2-methylpropylidene)hydrazono]-4-oxo-3-phenylthiazolidin-5-ylidene}acetate
Comments Computed using HOSE algorithm
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Exact Mass 331.099062590 u
Formula C16H17N3O3S
InChI InChI=1S/C16H17N3O3S/c1-11(2)10-17-18-16-19(12-7-5-4-6-8-12)15(21)13(23-16)9-14(20)22-3/h4-11H,1-3H3/b13-9-,17-10+,18-16-
InChIKey AXXZUPWXUFCDQR-GPCFRMRMSA-N
Molecular Weight 331.390 g/mol
SMILES C1(\C(S\C(N1C1=CC=CC=C1)=N\N=C\C(C)C)=C\C(=O)OC)=O