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2-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-N-(5-methyl-[1,3,4]thiadiazol-2-yl)propionamide
SpectraBase Compound ID GxMRuc7IxEp
InChI InChI=1S/C14H12N4O3S/c1-7(11(19)15-14-17-16-8(2)22-14)18-12(20)9-5-3-4-6-10(9)13(18)21/h3-7H,1-2H3,(H,15,17,19)
InChIKey ZAPUBNDVDORPJJ-UHFFFAOYSA-N
Mol Weight 316.34 g/mol
Molecular Formula C14H12N4O3S
Exact Mass 316.063011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zQlB3gxK5E
Name 2-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-N-(5-methyl-[1,3,4]thiadiazol-2-yl)propionamide
Comments Computed using HOSE algorithm
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Exact Mass 316.063011433 u
Formula C14H12N4O3S
InChI InChI=1S/C14H12N4O3S/c1-7(11(19)15-14-17-16-8(2)22-14)18-12(20)9-5-3-4-6-10(9)13(18)21/h3-7H,1-2H3,(H,15,17,19)
InChIKey ZAPUBNDVDORPJJ-UHFFFAOYSA-N
Molecular Weight 316.335 g/mol
SMILES C12=C(C(=O)N(C2=O)C(C(NC2=NN=C(S2)C)=O)C)C=CC=C1