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.beta.-[3,4,5-Trimethoxyphenyl]pyruvic acid thiosemicarbazone

View entire compound with spectra: 1 NMR

.beta.-[3,4,5-Trimethoxyphenyl]pyruvic acid thiosemicarbazone
SpectraBase Compound ID ANhIf0axAlG
InChI InChI=1S/C13H17N3O5S/c1-19-9-5-7(6-10(20-2)11(9)21-3)4-8(12(17)18)15-16-13(14)22/h5-6H,4H2,1-3H3,(H,17,18)(H3,14,16,22)/b15-8-
InChIKey CVNAGELWYBHQFT-NVNXTCNLSA-N
Mol Weight 327.36 g/mol
Molecular Formula C13H17N3O5S
Exact Mass 327.088892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30TAfjTm5QD
Name .beta.-[3,4,5-Trimethoxyphenyl]pyruvic acid thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 327.088891828 u
Formula C13H17N3O5S
InChI InChI=1S/C13H17N3O5S/c1-19-9-5-7(6-10(20-2)11(9)21-3)4-8(12(17)18)15-16-13(14)22/h5-6H,4H2,1-3H3,(H,17,18)(H3,14,16,22)/b15-8-
InChIKey CVNAGELWYBHQFT-NVNXTCNLSA-N
Molecular Weight 327.355 g/mol
SMILES C1=C(C\C(C(=O)O)=N\NC(N)=S)C=C(C(=C1OC)OC)OC