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3-(Cyclohexylthiocarbamoyl)carbazic acid, ethyl ester
SpectraBase Compound ID 2egfgEsAdOF
InChI InChI=1S/C10H19N3O2S/c1-2-15-10(14)13-12-9(16)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,13,14)(H2,11,12,16)
InChIKey VIMGPEYJJPWUPN-UHFFFAOYSA-N
Mol Weight 245.34 g/mol
Molecular Formula C10H19N3O2S
Exact Mass 245.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cVU734GHeS
Name 3-(Cyclohexylthiocarbamoyl)carbazic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 245.119798036 u
Formula C10H19N3O2S
InChI InChI=1S/C10H19N3O2S/c1-2-15-10(14)13-12-9(16)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,13,14)(H2,11,12,16)
InChIKey VIMGPEYJJPWUPN-UHFFFAOYSA-N
Molecular Weight 245.341 g/mol
SMILES N(C1CCCCC1)C(NNC(OCC)=O)=S