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3-(Phenylthiocarbamoyl)carbazic acid, ethyl ester
SpectraBase Compound ID CTtLAVKZwcY
InChI InChI=1S/C10H13N3O2S/c1-2-15-10(14)13-12-9(16)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,14)(H2,11,12,16)
InChIKey SMNBJIDARAZJRY-UHFFFAOYSA-N
Mol Weight 239.29 g/mol
Molecular Formula C10H13N3O2S
Exact Mass 239.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8O3SqN4fWK0
Name 3-(Phenylthiocarbamoyl)carbazic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 239.072847843 u
Formula C10H13N3O2S
InChI InChI=1S/C10H13N3O2S/c1-2-15-10(14)13-12-9(16)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,14)(H2,11,12,16)
InChIKey SMNBJIDARAZJRY-UHFFFAOYSA-N
SMILES N(C=1C=CC=CC1)C(NNC(OCC)=O)=S